4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline

C17H17N3O — CID 115913040

IUPAC4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline
SMILESCOc1ccc2nc(C3(c4ccc(N)cc4)CC3)[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-21-13-6-7-14-15(10-13)20-16(19-14)17(8-9-17)11-2-4-12(18)5-3-11/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyIQBBFMIOLFONMQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.23
Rot. Bonds3

About 4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline

4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline (PubChem CID 115913040) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline
PubChem CID115913040
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline
SMILESCOc1ccc2nc(C3(c4ccc(N)cc4)CC3)[nH]c2c1
InChIInChI=1S/C17H17N3O/c1-21-13-6-7-14-15(10-13)20-16(19-14)17(8-9-17)11-2-4-12(18)5-3-11/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyIQBBFMIOLFONMQ-UHFFFAOYSA-N
XLogP3.23
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline 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

4-[1-(5,6-difluoro-1H-benzimidazol-2-yl)cyclopropyl]aniline
CID 115913008
4-[1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropyl]aniline
CID 112557991
[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine
CID 115443684
3-(6-methoxy-1H-benzimidazol-2-yl)oxolan-3-amine
CID 65017552
2-(6-methoxy-1H-benzimidazol-2-yl)-2-methylcyclopentan-1-amine
CID 82763151
4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
CID 65017728
6-fluoro-2-(1-methyl-4-phenylpiperidin-4-yl)-1H-benzimidazole;3-(4-methoxyphenyl)propanal
CID 142821262
4-[1-(4-chloro-1H-benzimidazol-2-yl)cyclopropyl]aniline
CID 115913023
3-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 754001
3-(6-methoxy-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
CID 65017726
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline?
The IUPAC name of 4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline (CID 115913040) is 4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline.
What is the SMILES notation for 4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline?
The canonical SMILES for 4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline is COc1ccc2nc(C3(c4ccc(N)cc4)CC3)[nH]c2c1.
What is the InChIKey of 4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline?
The InChIKey is IQBBFMIOLFONMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-13-6-7-14-15(10-13)20-16(19-14)17(8-9-17)11-2-4-12(18)5-3-11/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of 4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline?
4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline has a molecular weight of 279.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methoxy-1H-benzimidazol-2-yl)cyclopropyl]aniline is sourced from PubChem (CID 115913040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).