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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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).