N-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide

C15H16N4O2 — CID 18509851

IUPACN-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide
SMILESN#Cc1ccc2c(c1)[nH]c(=O)n2C1CCC(NC=O)CC1
InChIInChI=1S/C15H16N4O2/c16-8-10-1-6-14-13(7-10)18-15(21)19(14)12-4-2-11(3-5-12)17-9-20/h1,6-7,9,11-12H,2-5H2,(H,17,20)(H,18,21)
InChIKeyBKAPBKZLSQAYDQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.43
Rot. Bonds3

About N-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide

N-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide (PubChem CID 18509851) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide.

Molecular Properties

Compound NameN-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide
PubChem CID18509851
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide
SMILESN#Cc1ccc2c(c1)[nH]c(=O)n2C1CCC(NC=O)CC1
InChIInChI=1S/C15H16N4O2/c16-8-10-1-6-14-13(7-10)18-15(21)19(14)12-4-2-11(3-5-12)17-9-20/h1,6-7,9,11-12H,2-5H2,(H,17,20)(H,18,21)
InChIKeyBKAPBKZLSQAYDQ-UHFFFAOYSA-N
XLogP1.43
TPSA90.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide?
The IUPAC name of N-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide (CID 18509851) is N-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide.
What is the SMILES notation for N-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide?
The canonical SMILES for N-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide is N#Cc1ccc2c(c1)[nH]c(=O)n2C1CCC(NC=O)CC1.
What is the InChIKey of N-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide?
The InChIKey is BKAPBKZLSQAYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-8-10-1-6-14-13(7-10)18-15(21)19(14)12-4-2-11(3-5-12)17-9-20/h1,6-7,9,11-12H,2-5H2,(H,17,20)(H,18,21).
What are the key properties of N-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide?
N-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide has a molecular weight of 284.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyano-2-oxo-3H-benzimidazol-1-yl)cyclohexyl]formamide is sourced from PubChem (CID 18509851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).