5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide

C10H7ClN6O2 — CID 10684030

IUPAC5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-n1c(=O)[nH]c2cc(Cl)ccc21
InChIInChI=1S/C10H7ClN6O2/c11-4-1-2-6-5(3-4)13-10(19)17(6)9-7(8(12)18)14-16-15-9/h1-3H,(H2,12,18)(H,13,19)(H,14,15,16)
InChIKeyWFVPORAMUQYDLW-UHFFFAOYSA-N
MW278.66 g/mol
LogP0.19
Rot. Bonds2

About 5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide

5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide (PubChem CID 10684030) has the molecular formula C10H7ClN6O2 and a molecular weight of 278.66 g/mol. Its IUPAC name is 5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide
PubChem CID10684030
Molecular FormulaC10H7ClN6O2
Molecular Weight278.66 g/mol
Exact Mass278.03
IUPAC Name5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-n1c(=O)[nH]c2cc(Cl)ccc21
InChIInChI=1S/C10H7ClN6O2/c11-4-1-2-6-5(3-4)13-10(19)17(6)9-7(8(12)18)14-16-15-9/h1-3H,(H2,12,18)(H,13,19)(H,14,15,16)
InChIKeyWFVPORAMUQYDLW-UHFFFAOYSA-N
XLogP0.19
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-oxo-5-phenyl-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide
CID 11823359
5-(5-butan-2-yl-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide
CID 10913616
5-(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide
CID 11832590
2-[2-(5-chloro-2-oxo-3H-benzimidazol-1-yl)phenyl]acetic acid
CID 66755223
3-(5-chloro-2-oxo-3H-benzimidazol-1-yl)propyl carbamate
CID 3019462
6-chloro-3-(2-hydroxyethyl)-1H-benzimidazol-2-one
CID 21424819
6-chloro-3-ethyl-1H-benzimidazol-2-one
CID 19437881
6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
3-tert-butyl-6-chloro-1H-benzimidazol-2-one
CID 117207566
N-[4-(aminomethyl)phenyl]-5-chloro-2-oxo-3H-benzimidazole-1-carboxamide
CID 70094602
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
CID 110491173

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide (CID 10684030) is 5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-n1c(=O)[nH]c2cc(Cl)ccc21.
What is the InChIKey of 5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide?
The InChIKey is WFVPORAMUQYDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6O2/c11-4-1-2-6-5(3-4)13-10(19)17(6)9-7(8(12)18)14-16-15-9/h1-3H,(H2,12,18)(H,13,19)(H,14,15,16).
What are the key properties of 5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide?
5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide has a molecular weight of 278.66 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 10684030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).