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

C15H20N4O2 — CID 110874385

IUPAC5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide
SMILESCc1cc2c(cc1N)[nH]c(=O)n2C(=O)NC1CCCCC1
InChIInChI=1S/C15H20N4O2/c1-9-7-13-12(8-11(9)16)18-15(21)19(13)14(20)17-10-5-3-2-4-6-10/h7-8,10H,2-6,16H2,1H3,(H,17,20)(H,18,21)
InChIKeyMILWXXJXKWYYSY-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.11
Rot. Bonds1

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

5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide (PubChem CID 110874385) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide
PubChem CID110874385
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide
SMILESCc1cc2c(cc1N)[nH]c(=O)n2C(=O)NC1CCCCC1
InChIInChI=1S/C15H20N4O2/c1-9-7-13-12(8-11(9)16)18-15(21)19(13)14(20)17-10-5-3-2-4-6-10/h7-8,10H,2-6,16H2,1H3,(H,17,20)(H,18,21)
InChIKeyMILWXXJXKWYYSY-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide?
The IUPAC name of 5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide (CID 110874385) is 5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide.
What is the SMILES notation for 5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide?
The canonical SMILES for 5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide is Cc1cc2c(cc1N)[nH]c(=O)n2C(=O)NC1CCCCC1.
What is the InChIKey of 5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide?
The InChIKey is MILWXXJXKWYYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-7-13-12(8-11(9)16)18-15(21)19(13)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 5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide?
5-amino-N-cyclohexyl-6-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 5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide is sourced from PubChem (CID 110874385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).