6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide

C15H20N4O2 — CID 110874386

IUPAC6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide
SMILESCc1cc2[nH]c(=O)n(C(=O)NC3CCCCC3)c2cc1N
InChIInChI=1S/C15H20N4O2/c1-9-7-12-13(8-11(9)16)19(15(21)18-12)14(20)17-10-5-3-2-4-6-10/h7-8,10H,2-6,16H2,1H3,(H,17,20)(H,18,21)
InChIKeyYQOQAZYBJRYLIC-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.11
Rot. Bonds1

About 6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide

6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide (PubChem CID 110874386) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide.

Molecular Properties

Compound Name6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide
PubChem CID110874386
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide
SMILESCc1cc2[nH]c(=O)n(C(=O)NC3CCCCC3)c2cc1N
InChIInChI=1S/C15H20N4O2/c1-9-7-12-13(8-11(9)16)19(15(21)18-12)14(20)17-10-5-3-2-4-6-10/h7-8,10H,2-6,16H2,1H3,(H,17,20)(H,18,21)
InChIKeyYQOQAZYBJRYLIC-UHFFFAOYSA-N
XLogP2.11
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide?
The IUPAC name of 6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide (CID 110874386) is 6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide.
What is the SMILES notation for 6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide?
The canonical SMILES for 6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide is Cc1cc2[nH]c(=O)n(C(=O)NC3CCCCC3)c2cc1N.
What is the InChIKey of 6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide?
The InChIKey is YQOQAZYBJRYLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-7-12-13(8-11(9)16)19(15(21)18-12)14(20)17-10-5-3-2-4-6-10/h7-8,10H,2-6,16H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide?
6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide is sourced from PubChem (CID 110874386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).