3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one

C19H27N3O2 — CID 86966484

IUPAC3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one
SMILESCC1CCC(C(C)C)N(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)CC1
InChIInChI=1S/C19H27N3O2/c1-12(2)16-7-5-13(3)9-10-22(16)18(23)14-6-8-17-15(11-14)20-19(24)21(17)4/h6,8,11-13,16H,5,7,9-10H2,1-4H3,(H,20,24)
InChIKeyPEYYZSVUBJEQPV-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.15
Rot. Bonds2

About 3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one

3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one (PubChem CID 86966484) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one
PubChem CID86966484
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one
SMILESCC1CCC(C(C)C)N(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)CC1
InChIInChI=1S/C19H27N3O2/c1-12(2)16-7-5-13(3)9-10-22(16)18(23)14-6-8-17-15(11-14)20-19(24)21(17)4/h6,8,11-13,16H,5,7,9-10H2,1-4H3,(H,20,24)
InChIKeyPEYYZSVUBJEQPV-UHFFFAOYSA-N
XLogP3.15
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-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

Related Compounds

6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one
CID 97096717
N-[3-(5-methyl-2-propan-2-ylazepane-1-carbonyl)phenyl]propanamide
CID 86965900
3-methyl-6-[3-(N-methylanilino)pyrrolidine-1-carbonyl]-1H-benzimidazol-2-one
CID 136554107
6-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-3-methyl-1H-benzimidazol-2-one
CID 77401853
6-(2-bromoacetyl)-3-methyl-1H-benzimidazol-2-one
CID 139311717
6-[(1S)-6-hydroxy-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carbonyl]-3-methyl-1H-benzimidazol-2-one
CID 126494192
(5-methyl-2-propan-2-ylazepan-1-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
CID 86966485
3-methyl-6-(3-pyridin-2-yloxyazetidine-1-carbonyl)-1H-benzimidazol-2-one
CID 167875360
5-methyl-1-(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122117261
ethyl 2-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-oxoacetate
CID 117372968
3-methyl-7-[(4R)-4-methylazepane-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 52537498
N-[5-(5-methyl-2-propan-2-ylazepane-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 86965945

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one (CID 86966484) is 3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one is CC1CCC(C(C)C)N(C(=O)c2ccc3c(c2)[nH]c(=O)n3C)CC1.
What is the InChIKey of 3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one?
The InChIKey is PEYYZSVUBJEQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12(2)16-7-5-13(3)9-10-22(16)18(23)14-6-8-17-15(11-14)20-19(24)21(17)4/h6,8,11-13,16H,5,7,9-10H2,1-4H3,(H,20,24).
What are the key properties of 3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one?
3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one has a molecular weight of 329.44 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-methyl-2-propan-2-ylazepane-1-carbonyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 86966484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).