N-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide

C15H16N4O — CID 143700091

IUPACN-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide
SMILESN#Cc1ccc2nc(C3CCCC(NC=O)C3)[nH]c2c1
InChIInChI=1S/C15H16N4O/c16-8-10-4-5-13-14(6-10)19-15(18-13)11-2-1-3-12(7-11)17-9-20/h4-6,9,11-12H,1-3,7H2,(H,17,20)(H,18,19)
InChIKeyKYYGHBUKKLXEKA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.21
Rot. Bonds3

About N-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide

N-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide (PubChem CID 143700091) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide.

Molecular Properties

Compound NameN-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide
PubChem CID143700091
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide
SMILESN#Cc1ccc2nc(C3CCCC(NC=O)C3)[nH]c2c1
InChIInChI=1S/C15H16N4O/c16-8-10-4-5-13-14(6-10)19-15(18-13)11-2-1-3-12(7-11)17-9-20/h4-6,9,11-12H,1-3,7H2,(H,17,20)(H,18,19)
InChIKeyKYYGHBUKKLXEKA-UHFFFAOYSA-N
XLogP2.21
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide?
The IUPAC name of N-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide (CID 143700091) is N-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide.
What is the SMILES notation for N-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide?
The canonical SMILES for N-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide is N#Cc1ccc2nc(C3CCCC(NC=O)C3)[nH]c2c1.
What is the InChIKey of N-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide?
The InChIKey is KYYGHBUKKLXEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-8-10-4-5-13-14(6-10)19-15(18-13)11-2-1-3-12(7-11)17-9-20/h4-6,9,11-12H,1-3,7H2,(H,17,20)(H,18,19).
What are the key properties of N-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide?
N-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide has a molecular weight of 268.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-cyano-1H-benzimidazol-2-yl)cyclohexyl]formamide is sourced from PubChem (CID 143700091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).