6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid

C19H13N5O3 — CID 16665944

IUPAC6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid
SMILESO=C(Nc1ccc2nc(C(=O)O)[nH]c2c1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C19H13N5O3/c25-18(12-9-20-16(21-10-12)11-4-2-1-3-5-11)22-13-6-7-14-15(8-13)24-17(23-14)19(26)27/h1-10H,(H,22,25)(H,23,24)(H,26,27)
InChIKeySBMKVOMWVWBYCZ-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.97
Rot. Bonds4

About 6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid

6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid (PubChem CID 16665944) has the molecular formula C19H13N5O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is 6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid
PubChem CID16665944
Molecular FormulaC19H13N5O3
Molecular Weight359.35 g/mol
Exact Mass359.10
IUPAC Name6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid
SMILESO=C(Nc1ccc2nc(C(=O)O)[nH]c2c1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C19H13N5O3/c25-18(12-9-20-16(21-10-12)11-4-2-1-3-5-11)22-13-6-7-14-15(8-13)24-17(23-14)19(26)27/h1-10H,(H,22,25)(H,23,24)(H,26,27)
InChIKeySBMKVOMWVWBYCZ-UHFFFAOYSA-N
XLogP2.97
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131930910
N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide
CID 47779233
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide
CID 67686453
N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368586
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
methyl 4-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)carbamoyl]benzoate
CID 3153966
N-(3-chloro-4-thiomorpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 51129835

Frequently Asked Questions

What is the IUPAC name of 6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid?
The IUPAC name of 6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid (CID 16665944) is 6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid.
What is the SMILES notation for 6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid?
The canonical SMILES for 6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid is O=C(Nc1ccc2nc(C(=O)O)[nH]c2c1)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of 6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid?
The InChIKey is SBMKVOMWVWBYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O3/c25-18(12-9-20-16(21-10-12)11-4-2-1-3-5-11)22-13-6-7-14-15(8-13)24-17(23-14)19(26)27/h1-10H,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid?
6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid has a molecular weight of 359.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-phenylpyrimidine-5-carbonyl)amino]-1H-benzimidazole-2-carboxylic acid is sourced from PubChem (CID 16665944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).