3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one

C13H19N3O — CID 67763170

IUPAC3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one
SMILESNC1CCC(N2C(=O)NC3CC=CC=C32)CC1
InChIInChI=1S/C13H19N3O/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)15-13(16)17/h1-2,4,9-11H,3,5-8,14H2,(H,15,17)
InChIKeyMJNGCOYBSAEBIB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.49
Rot. Bonds1

About 3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one

3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one (PubChem CID 67763170) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one
PubChem CID67763170
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one
SMILESNC1CCC(N2C(=O)NC3CC=CC=C32)CC1
InChIInChI=1S/C13H19N3O/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)15-13(16)17/h1-2,4,9-11H,3,5-8,14H2,(H,15,17)
InChIKeyMJNGCOYBSAEBIB-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one 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 3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one?
The IUPAC name of 3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one (CID 67763170) is 3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one?
The canonical SMILES for 3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one is NC1CCC(N2C(=O)NC3CC=CC=C32)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one?
The InChIKey is MJNGCOYBSAEBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)15-13(16)17/h1-2,4,9-11H,3,5-8,14H2,(H,15,17).
What are the key properties of 3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one?
3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-7,7a-dihydro-1H-benzimidazol-2-one is sourced from PubChem (CID 67763170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).