3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate

C30H33N4O4- — CID 139208529

IUPAC3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate
SMILESCOCCn1c(CN2CCC(c3cccc(OCc4ccc(C)cc4)n3)CC2)nc2ccc(C(=O)[O-])cc21
InChIInChI=1S/C30H34N4O4/c1-21-6-8-22(9-7-21)20-38-29-5-3-4-25(32-29)23-12-14-33(15-13-23)19-28-31-26-11-10-24(30(35)36)18-27(26)34(28)16-17-37-2/h3-11,18,23H,12-17,19-20H2,1-2H3,(H,35,36)/p-1
InChIKeyMLFBJQDSMCXSHS-UHFFFAOYSA-M
MW513.62 g/mol
LogP3.71
Rot. Bonds10

About 3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate

3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate (PubChem CID 139208529) has the molecular formula C30H33N4O4- and a molecular weight of 513.62 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate
PubChem CID139208529
Molecular FormulaC30H33N4O4-
Molecular Weight513.62 g/mol
Exact Mass513.25
IUPAC Name3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate
SMILESCOCCn1c(CN2CCC(c3cccc(OCc4ccc(C)cc4)n3)CC2)nc2ccc(C(=O)[O-])cc21
InChIInChI=1S/C30H34N4O4/c1-21-6-8-22(9-7-21)20-38-29-5-3-4-25(32-29)23-12-14-33(15-13-23)19-28-31-26-11-10-24(30(35)36)18-27(26)34(28)16-17-37-2/h3-11,18,23H,12-17,19-20H2,1-2H3,(H,35,36)/p-1
InChIKeyMLFBJQDSMCXSHS-UHFFFAOYSA-M
XLogP3.71
TPSA92.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate 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

2-((4-(6-((4-Cyano-2-fluorophenyl)methoxy)-2-pyridinyl)-1-piperidinyl)methyl)-1-((2S)-2-oxetanylmethyl)-1H-benzimidazole-6-carboxylic acid
CID 134611040
2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid
CID 134611223
Mchb-1
CID 44561533
PF-Cbp1
CID 119081417
3-(4-(2-(5-(3,5-Dimethyl-4-isoxazolyl)-1-(2-(4-morpholinyl)ethyl)-1H-benzimidazol-2-yl)ethyl)phenoxy)-N,N-dimethyl-1-propanamine
CID 121237857
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
Naperiglipron
CID 155433819
4-[2-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]benzimidazol-1-yl]ethyl]morpholine
CID 137319664
4-(4-{3-[2-Phenoxymethyl-4-(3-piperidin-1-yl-propoxy)-benzoimidazol-1-yl]-propyl}-piperidin-1-yl)-1-phenyl-butan-1-one
CID 44372383
2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 44561005
2-[4-(Benzyloxy)phenyl]-1-cyclohexyl-1h-benzimidazole-5-carboxylic acid
CID 491098
(R)-2-(4-ethoxybenzyl)-N,N-diethyl-1-((1-methylpiperidin-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 9825614

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate?
The IUPAC name of 3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate (CID 139208529) is 3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate.
What is the SMILES notation for 3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate?
The canonical SMILES for 3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate is COCCn1c(CN2CCC(c3cccc(OCc4ccc(C)cc4)n3)CC2)nc2ccc(C(=O)[O-])cc21.
What is the InChIKey of 3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate?
The InChIKey is MLFBJQDSMCXSHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H34N4O4/c1-21-6-8-22(9-7-21)20-38-29-5-3-4-25(32-29)23-12-14-33(15-13-23)19-28-31-26-11-10-24(30(35)36)18-27(26)34(28)16-17-37-2/h3-11,18,23H,12-17,19-20H2,1-2H3,(H,35,36)/p-1.
What are the key properties of 3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate?
3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate has a molecular weight of 513.62 g/mol, XLogP of 3.71, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-[[4-[6-[(4-methylphenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 139208529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).