4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid

C18H18N4O3 — CID 155950252

IUPAC4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)n1c(NC(=O)c2ccnc(C(=O)O)c2)nc2ccccc21
InChIInChI=1S/C18H18N4O3/c1-18(2,3)22-14-7-5-4-6-12(14)20-17(22)21-15(23)11-8-9-19-13(10-11)16(24)25/h4-10H,1-3H3,(H,24,25)(H,20,21,23)
InChIKeyJFVXDTPBDNDBQM-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.14
Rot. Bonds3

About 4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid

4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 155950252) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID155950252
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)n1c(NC(=O)c2ccnc(C(=O)O)c2)nc2ccccc21
InChIInChI=1S/C18H18N4O3/c1-18(2,3)22-14-7-5-4-6-12(14)20-17(22)21-15(23)11-8-9-19-13(10-11)16(24)25/h4-10H,1-3H3,(H,24,25)(H,20,21,23)
InChIKeyJFVXDTPBDNDBQM-UHFFFAOYSA-N
XLogP3.14
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide
CID 51093633
N-(1-tert-butylbenzimidazol-2-yl)-4-chloro-2-fluorobenzamide
CID 47080720
3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
CID 139382529
N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide
CID 72689962
4-(1H-benzimidazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 115730029
4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167914964
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447834
N-(1-cyclopentylbenzimidazol-2-yl)-2-methylpyridine-4-carboxamide
CID 136538090
4-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730044
3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide
CID 51093634
2-(2-formyl-3-hydroxyphenoxy)-N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 170171494
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036

Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid (CID 155950252) is 4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid is CC(C)(C)n1c(NC(=O)c2ccnc(C(=O)O)c2)nc2ccccc21.
What is the InChIKey of 4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is JFVXDTPBDNDBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-18(2,3)22-14-7-5-4-6-12(14)20-17(22)21-15(23)11-8-9-19-13(10-11)16(24)25/h4-10H,1-3H3,(H,24,25)(H,20,21,23).
What are the key properties of 4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid?
4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 338.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butylbenzimidazol-2-yl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 155950252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).