3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine

C17H17N3 — CID 103314238

IUPAC3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESc1ccc2c(c1)CCC(n1cnc3ccccc31)CN2
InChIInChI=1S/C17H17N3/c1-2-6-15-13(5-1)9-10-14(11-18-15)20-12-19-16-7-3-4-8-17(16)20/h1-8,12,14,18H,9-11H2
InChIKeyACRVINFQCQNLBC-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.64
Rot. Bonds1

About 3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine

3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 103314238) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID103314238
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESc1ccc2c(c1)CCC(n1cnc3ccccc31)CN2
InChIInChI=1S/C17H17N3/c1-2-6-15-13(5-1)9-10-14(11-18-15)20-12-19-16-7-3-4-8-17(16)20/h1-8,12,14,18H,9-11H2
InChIKeyACRVINFQCQNLBC-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine 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

3-(benzotriazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314241
1-(2,3-dihydro-1H-inden-1-yl)benzimidazole
CID 54576638
N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine
CID 121317709
4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride
CID 171992049
(3S)-3-(4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51721884
3-(3,5-diethyl-1,2,4-triazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314260
3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine
CID 79643579
5-(4-methylbenzimidazol-1-yl)piperidin-2-one
CID 174265023
3-(4-methyl-1,4-diazepan-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103313979
4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 82513545
3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84717070
6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783124

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 103314238) is 3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine is c1ccc2c(c1)CCC(n1cnc3ccccc31)CN2.
What is the InChIKey of 3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is ACRVINFQCQNLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-6-15-13(5-1)9-10-14(11-18-15)20-12-19-16-7-3-4-8-17(16)20/h1-8,12,14,18H,9-11H2.
What are the key properties of 3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine?
3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 263.34 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 103314238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).