2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid

C19H18N4O4 — CID 68970748

IUPAC2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cncc(OC2CCCC2)c1
InChIInChI=1S/C19H18N4O4/c24-17(11-8-13(10-20-9-11)27-12-4-1-2-5-12)23-19-21-15-7-3-6-14(18(25)26)16(15)22-19/h3,6-10,12H,1-2,4-5H2,(H,25,26)(H2,21,22,23,24)
InChIKeyVRIUOAAZMVQYFI-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.23
Rot. Bonds5

About 2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid

2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid (PubChem CID 68970748) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
PubChem CID68970748
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cncc(OC2CCCC2)c1
InChIInChI=1S/C19H18N4O4/c24-17(11-8-13(10-20-9-11)27-12-4-1-2-5-12)23-19-21-15-7-3-6-14(18(25)26)16(15)22-19/h3,6-10,12H,1-2,4-5H2,(H,25,26)(H2,21,22,23,24)
InChIKeyVRIUOAAZMVQYFI-UHFFFAOYSA-N
XLogP3.23
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid 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-[[5-[(1R)-1-phenylethoxy]pyridine-3-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
CID 68972483
2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68968407
2-[(3,4-dimethoxybenzoyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68972066
2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
CID 68971249
2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68972273
2-[(6,7-dimethoxynaphthalene-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58724408
2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 146137008
2-[[6-[2-(3-methylphenyl)ethynyl]pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
CID 68972124
5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 139424507
4-phenyl-N-(4-phenyl-1H-benzimidazol-2-yl)benzamide
CID 21449966
N-[4-[(5-benzyl-1H-imidazol-2-yl)carbamoyl]-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026529

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid (CID 68970748) is 2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid is O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cncc(OC2CCCC2)c1.
What is the InChIKey of 2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is VRIUOAAZMVQYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-17(11-8-13(10-20-9-11)27-12-4-1-2-5-12)23-19-21-15-7-3-6-14(18(25)26)16(15)22-19/h3,6-10,12H,1-2,4-5H2,(H,25,26)(H2,21,22,23,24).
What are the key properties of 2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid?
2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 366.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 68970748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).