2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid

C20H14N4O4 — CID 68970786

IUPAC2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cccc(Oc2ccccc2)n1
InChIInChI=1S/C20H14N4O4/c25-18(15-10-5-11-16(21-15)28-12-6-2-1-3-7-12)24-20-22-14-9-4-8-13(19(26)27)17(14)23-20/h1-11H,(H,26,27)(H2,22,23,24,25)
InChIKeyQOGTXAFMRPSXBE-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.70
Rot. Bonds5

About 2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid

2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid (PubChem CID 68970786) has the molecular formula C20H14N4O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
PubChem CID68970786
Molecular FormulaC20H14N4O4
Molecular Weight374.36 g/mol
Exact Mass374.10
IUPAC Name2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cccc(Oc2ccccc2)n1
InChIInChI=1S/C20H14N4O4/c25-18(15-10-5-11-16(21-15)28-12-6-2-1-3-7-12)24-20-22-14-9-4-8-13(19(26)27)17(14)23-20/h1-11H,(H,26,27)(H2,22,23,24,25)
InChIKeyQOGTXAFMRPSXBE-UHFFFAOYSA-N
XLogP3.70
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate
CID 89120566
2-[[6-(2-phenylethyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
CID 68971249
2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68968407
2-[[6-(2-pyridin-3-ylethynyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
CID 68972119
2-[[6-[2-(3-methylphenyl)ethynyl]pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
CID 68972124
2-[(3,4-dimethoxybenzoyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68972066
2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68972273
2-[[5-[(1R)-1-phenylethoxy]pyridine-3-carbonyl]amino]-1H-benzimidazole-4-carboxylic acid
CID 68972483
2-[(5-cyclopentyloxypyridine-3-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68970748
2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
2-[(2-chlorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 11858230
N-(1H-imidazol-2-yl)-2-[[6-(4-methoxyphenyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxamide
CID 67891546

Frequently Asked Questions

What is the IUPAC name of 2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid (CID 68970786) is 2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid is O=C(Nc1nc2c(C(=O)O)cccc2[nH]1)c1cccc(Oc2ccccc2)n1.
What is the InChIKey of 2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is QOGTXAFMRPSXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O4/c25-18(15-10-5-11-16(21-15)28-12-6-2-1-3-7-12)24-20-22-14-9-4-8-13(19(26)27)17(14)23-20/h1-11H,(H,26,27)(H2,22,23,24,25).
What are the key properties of 2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid?
2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 374.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 68970786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).