2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide

C13H14ClN3O — CID 100787032

IUPAC2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2nc(Cl)[nH]c2c1)C1CC1
InChIInChI=1S/C13H14ClN3O/c1-7(8-2-3-8)15-12(18)9-4-5-10-11(6-9)17-13(14)16-10/h4-8H,2-3H2,1H3,(H,15,18)(H,16,17)/t7-/m0/s1
InChIKeyMHMZQTZGIBZIAZ-ZETCQYMHSA-N
MW263.73 g/mol
LogP2.74
Rot. Bonds3

About 2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide

2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 100787032) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide
PubChem CID100787032
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2nc(Cl)[nH]c2c1)C1CC1
InChIInChI=1S/C13H14ClN3O/c1-7(8-2-3-8)15-12(18)9-4-5-10-11(6-9)17-13(14)16-10/h4-8H,2-3H2,1H3,(H,15,18)(H,16,17)/t7-/m0/s1
InChIKeyMHMZQTZGIBZIAZ-ZETCQYMHSA-N
XLogP2.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide (CID 100787032) is 2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide is C[C@H](NC(=O)c1ccc2nc(Cl)[nH]c2c1)C1CC1.
What is the InChIKey of 2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is MHMZQTZGIBZIAZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-7(8-2-3-8)15-12(18)9-4-5-10-11(6-9)17-13(14)16-10/h4-8H,2-3H2,1H3,(H,15,18)(H,16,17)/t7-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide?
2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-cyclopropylethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 100787032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).