1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide

C93H98F6N24O12 — CID 159742872

IUPAC1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc2nc(-c3[nH]ncc3NC(=O)C3CCN(Cc4ccccc4)CC3)[nH]c2cc1OC.COc1ccc(OC(F)(F)F)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCOCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H28N6O3.C24H23F3N6O4.C23H21F3N6O2.C21H26N6O3/c1-33-21-12-18-19(13-22(21)34-2)28-24(27-18)23-20(14-26-30-23)29-25(32)17-8-10-31(11-9-17)15-16-6-4-3-5-7-16;1-35-20-5-3-15(37-24(25,26)27)11-16(20)23(34)31-19-12-28-32-21(19)22-29-17-4-2-14(10-18(17)30-22)13-33-6-8-36-9-7-33;24-23(25,26)16-4-2-15(3-5-16)22(33)30-19-12-27-31-20(19)21-28-17-6-1-14(11-18(17)29-21)13-32-7-9-34-10-8-32;28-21(15-3-7-29-8-4-15)25-18-12-22-26-19(18)20-23-16-2-1-14(11-17(16)24-20)13-27-5-9-30-10-6-27/h3-7,12-14,17H,8-11,15H2,1-2H3,(H,26,30)(H,27,28)(H,29,32);2-5,10-12H,6-9,13H2,1H3,(H,28,32)(H,29,30)(H,31,34);1-6,11-12H,7-10,13H2,(H,27,31)(H,28,29)(H,30,33);1-2,11-12,15H,3-10,13H2,(H,22,26)(H,23,24)(H,25,28)
InChIKeyNCRGOCDOCQAQKU-UHFFFAOYSA-N
MW1857.95 g/mol
LogP13.97
Rot. Bonds24

About 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide

1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 159742872) has the molecular formula C93H98F6N24O12 and a molecular weight of 1857.95 g/mol. Its IUPAC name is 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID159742872
Molecular FormulaC93H98F6N24O12
Molecular Weight1857.95 g/mol
Exact Mass1856.77
IUPAC Name1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc2nc(-c3[nH]ncc3NC(=O)C3CCN(Cc4ccccc4)CC3)[nH]c2cc1OC.COc1ccc(OC(F)(F)F)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCOCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H28N6O3.C24H23F3N6O4.C23H21F3N6O2.C21H26N6O3/c1-33-21-12-18-19(13-22(21)34-2)28-24(27-18)23-20(14-26-30-23)29-25(32)17-8-10-31(11-9-17)15-16-6-4-3-5-7-16;1-35-20-5-3-15(37-24(25,26)27)11-16(20)23(34)31-19-12-28-32-21(19)22-29-17-4-2-14(10-18(17)30-22)13-33-6-8-36-9-7-33;24-23(25,26)16-4-2-15(3-5-16)22(33)30-19-12-27-31-20(19)21-28-17-6-1-14(11-18(17)29-21)13-32-7-9-34-10-8-32;28-21(15-3-7-29-8-4-15)25-18-12-22-26-19(18)20-23-16-2-1-14(11-17(16)24-20)13-27-5-9-30-10-6-27/h3-7,12-14,17H,8-11,15H2,1-2H3,(H,26,30)(H,27,28)(H,29,32);2-5,10-12H,6-9,13H2,1H3,(H,28,32)(H,29,30)(H,31,34);1-6,11-12H,7-10,13H2,(H,27,31)(H,28,29)(H,30,33);1-2,11-12,15H,3-10,13H2,(H,22,26)(H,23,24)(H,25,28)
InChIKeyNCRGOCDOCQAQKU-UHFFFAOYSA-N
XLogP13.97
TPSA432.64 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms135
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001857.95
LogP ≤ 513.97
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide (CID 159742872) is 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide is COc1cc2nc(-c3[nH]ncc3NC(=O)C3CCN(Cc4ccccc4)CC3)[nH]c2cc1OC.COc1ccc(OC(F)(F)F)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)C1CCOCC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is NCRGOCDOCQAQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3.C24H23F3N6O4.C23H21F3N6O2.C21H26N6O3/c1-33-21-12-18-19(13-22(21)34-2)28-24(27-18)23-20(14-26-30-23)29-25(32)17-8-10-31(11-9-17)15-16-6-4-3-5-7-16;1-35-20-5-3-15(37-24(25,26)27)11-16(20)23(34)31-19-12-28-32-21(19)22-29-17-4-2-14(10-18(17)30-22)13-33-6-8-36-9-7-33;24-23(25,26)16-4-2-15(3-5-16)22(33)30-19-12-27-31-20(19)21-28-17-6-1-14(11-18(17)29-21)13-32-7-9-34-10-8-32;28-21(15-3-7-29-8-4-15)25-18-12-22-26-19(18)20-23-16-2-1-14(11-17(16)24-20)13-27-5-9-30-10-6-27/h3-7,12-14,17H,8-11,15H2,1-2H3,(H,26,30)(H,27,28)(H,29,32);2-5,10-12H,6-9,13H2,1H3,(H,28,32)(H,29,30)(H,31,34);1-6,11-12H,7-10,13H2,(H,27,31)(H,28,29)(H,30,33);1-2,11-12,15H,3-10,13H2,(H,22,26)(H,23,24)(H,25,28).
What are the key properties of 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide?
1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 1857.95 g/mol, XLogP of 13.97, 24 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-4-carboxamide;2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethoxy)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]oxane-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 159742872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).