N-pentan-3-yl-3H-benzimidazole-5-carboxamide

C13H17N3O — CID 2100119

IUPACN-pentan-3-yl-3H-benzimidazole-5-carboxamide
SMILESCCC(CC)NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-3-10(4-2)16-13(17)9-5-6-11-12(7-9)15-8-14-11/h5-8,10H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyCKBQIGHTRVEAAC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.48
Rot. Bonds4

About N-pentan-3-yl-3H-benzimidazole-5-carboxamide

N-pentan-3-yl-3H-benzimidazole-5-carboxamide (PubChem CID 2100119) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-pentan-3-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yl-3H-benzimidazole-5-carboxamide
PubChem CID2100119
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-pentan-3-yl-3H-benzimidazole-5-carboxamide
SMILESCCC(CC)NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-3-10(4-2)16-13(17)9-5-6-11-12(7-9)15-8-14-11/h5-8,10H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyCKBQIGHTRVEAAC-UHFFFAOYSA-N
XLogP2.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-pentan-3-yl-3H-benzimidazole-5-carboxamide (CID 2100119) is N-pentan-3-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-pentan-3-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-pentan-3-yl-3H-benzimidazole-5-carboxamide is CCC(CC)NC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-pentan-3-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is CKBQIGHTRVEAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-10(4-2)16-13(17)9-5-6-11-12(7-9)15-8-14-11/h5-8,10H,3-4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-pentan-3-yl-3H-benzimidazole-5-carboxamide?
N-pentan-3-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 2100119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).