3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one

C104H115N21O5 — CID 157405043

IUPAC3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC(Cn3cnc4cc(-c5cnn(C)c5)ccc43)CC2)c1.Cc1[nH]ncc1-c1ccc2c(c1)ncn2CC1CCN(C(=O)CCc2ccccc2)CC1.Cn1cc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)CCc3ccccc3)CC2)nn1.O=C(CCc1ccccc1)N1CCC(Cn2cnc3cc(-c4cnccn4)ccc32)CC1
InChIInChI=1S/C27H31N5O2.C26H29N5O.C26H27N5O.C25H28N6O/c1-30-18-23(16-29-30)22-7-8-26-25(15-22)28-19-32(26)17-21-10-12-31(13-11-21)27(33)9-6-20-4-3-5-24(14-20)34-2;1-19-23(16-28-29-19)22-8-9-25-24(15-22)27-18-31(25)17-21-11-13-30(14-12-21)26(32)10-7-20-5-3-2-4-6-20;32-26(9-6-20-4-2-1-3-5-20)30-14-10-21(11-15-30)18-31-19-29-23-16-22(7-8-25(23)31)24-17-27-12-13-28-24;1-29-17-23(27-28-29)21-8-9-24-22(15-21)26-18-31(24)16-20-11-13-30(14-12-20)25(32)10-7-19-5-3-2-4-6-19/h3-5,7-8,14-16,18-19,21H,6,9-13,17H2,1-2H3;2-6,8-9,15-16,18,21H,7,10-14,17H2,1H3,(H,28,29);1-5,7-8,12-13,16-17,19,21H,6,9-11,14-15,18H2;2-6,8-9,15,17-18,20H,7,10-14,16H2,1H3
InChIKeyBNPVAGCSQGOGRF-UHFFFAOYSA-N
MW1739.21 g/mol
LogP16.99
Rot. Bonds25

About 3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one

3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 157405043) has the molecular formula C104H115N21O5 and a molecular weight of 1739.21 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID157405043
Molecular FormulaC104H115N21O5
Molecular Weight1739.21 g/mol
Exact Mass1737.94
IUPAC Name3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC(Cn3cnc4cc(-c5cnn(C)c5)ccc43)CC2)c1.Cc1[nH]ncc1-c1ccc2c(c1)ncn2CC1CCN(C(=O)CCc2ccccc2)CC1.Cn1cc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)CCc3ccccc3)CC2)nn1.O=C(CCc1ccccc1)N1CCC(Cn2cnc3cc(-c4cnccn4)ccc32)CC1
InChIInChI=1S/C27H31N5O2.C26H29N5O.C26H27N5O.C25H28N6O/c1-30-18-23(16-29-30)22-7-8-26-25(15-22)28-19-32(26)17-21-10-12-31(13-11-21)27(33)9-6-20-4-3-5-24(14-20)34-2;1-19-23(16-28-29-19)22-8-9-25-24(15-22)27-18-31(25)17-21-11-13-30(14-12-21)26(32)10-7-20-5-3-2-4-6-20;32-26(9-6-20-4-2-1-3-5-20)30-14-10-21(11-15-30)18-31-19-29-23-16-22(7-8-25(23)31)24-17-27-12-13-28-24;1-29-17-23(27-28-29)21-8-9-24-22(15-21)26-18-31(24)16-20-11-13-30(14-12-20)25(32)10-7-19-5-3-2-4-6-19/h3-5,7-8,14-16,18-19,21H,6,9-13,17H2,1-2H3;2-6,8-9,15-16,18,21H,7,10-14,17H2,1H3,(H,28,29);1-5,7-8,12-13,16-17,19,21H,6,9-11,14-15,18H2;2-6,8-9,15,17-18,20H,7,10-14,16H2,1H3
InChIKeyBNPVAGCSQGOGRF-UHFFFAOYSA-N
XLogP16.99
TPSA264.74 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001739.21
LogP ≤ 516.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137109912
2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 136946136
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136946177
2-cyclohexyl-N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137109668
2-cyclohexyl-N-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137311627
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 139424540
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 139424559
2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 139424587
3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-(3-phenylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;3-[4-[3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methyl]pyrrolidin-2-one
CID 157242551
N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine
CID 158071324
2,6-difluoro-N-[5-[6-[[4-(4-methylcyclohexyl)piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-[(3-morpholin-4-ylpropylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 158072187
3-(1,5-dimethylpyrazol-4-yl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;3-(3,5-dimethyl-1H-pyrazol-4-yl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;3-phenyl-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;3-phenyl-7-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 158155599

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 157405043) is 3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one is COc1cccc(CCC(=O)N2CCC(Cn3cnc4cc(-c5cnn(C)c5)ccc43)CC2)c1.Cc1[nH]ncc1-c1ccc2c(c1)ncn2CC1CCN(C(=O)CCc2ccccc2)CC1.Cn1cc(-c2ccc3c(c2)ncn3CC2CCN(C(=O)CCc3ccccc3)CC2)nn1.O=C(CCc1ccccc1)N1CCC(Cn2cnc3cc(-c4cnccn4)ccc32)CC1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is BNPVAGCSQGOGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2.C26H29N5O.C26H27N5O.C25H28N6O/c1-30-18-23(16-29-30)22-7-8-26-25(15-22)28-19-32(26)17-21-10-12-31(13-11-21)27(33)9-6-20-4-3-5-24(14-20)34-2;1-19-23(16-28-29-19)22-8-9-25-24(15-22)27-18-31(25)17-21-11-13-30(14-12-21)26(32)10-7-20-5-3-2-4-6-20;32-26(9-6-20-4-2-1-3-5-20)30-14-10-21(11-15-30)18-31-19-29-23-16-22(7-8-25(23)31)24-17-27-12-13-28-24;1-29-17-23(27-28-29)21-8-9-24-22(15-21)26-18-31(24)16-20-11-13-30(14-12-20)25(32)10-7-19-5-3-2-4-6-19/h3-5,7-8,14-16,18-19,21H,6,9-13,17H2,1-2H3;2-6,8-9,15-16,18,21H,7,10-14,17H2,1H3,(H,28,29);1-5,7-8,12-13,16-17,19,21H,6,9-11,14-15,18H2;2-6,8-9,15,17-18,20H,7,10-14,16H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one?
3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 1739.21 g/mol, XLogP of 16.99, 25 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-[4-[[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one;1-[4-[[5-(5-methyl-1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;1-[4-[[5-(1-methyltriazol-4-yl)benzimidazol-1-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one;3-phenyl-1-[4-[(5-pyrazin-2-ylbenzimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 157405043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).