4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline

C17H16ClN3 — CID 104698563

IUPAC4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3ccc(Cl)cc3n2C2CC2)cc1
InChIInChI=1S/C17H16ClN3/c1-19-13-5-2-11(3-6-13)17-20-15-9-4-12(18)10-16(15)21(17)14-7-8-14/h2-6,9-10,14,19H,7-8H2,1H3
InChIKeyHUUGLUFYMLTAAX-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.73
Rot. Bonds3

About 4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline

4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline (PubChem CID 104698563) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline
PubChem CID104698563
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3ccc(Cl)cc3n2C2CC2)cc1
InChIInChI=1S/C17H16ClN3/c1-19-13-5-2-11(3-6-13)17-20-15-9-4-12(18)10-16(15)21(17)14-7-8-14/h2-6,9-10,14,19H,7-8H2,1H3
InChIKeyHUUGLUFYMLTAAX-UHFFFAOYSA-N
XLogP4.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline 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

5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline
CID 115473239
2-bromo-5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 107812844
4-(6-chloro-1-propylbenzimidazol-2-yl)-N-methylaniline
CID 104698561
2-bromo-4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473314
4-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-N-methylaniline
CID 104698544
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60785041
1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine
CID 113316669
4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline
CID 104698547
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol
CID 136789763
4-chloro-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473292
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline
CID 115473210
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915509

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline?
The IUPAC name of 4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline (CID 104698563) is 4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline?
The canonical SMILES for 4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline is CNc1ccc(-c2nc3ccc(Cl)cc3n2C2CC2)cc1.
What is the InChIKey of 4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline?
The InChIKey is HUUGLUFYMLTAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-19-13-5-2-11(3-6-13)17-20-15-9-4-12(18)10-16(15)21(17)14-7-8-14/h2-6,9-10,14,19H,7-8H2,1H3.
What are the key properties of 4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline?
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline has a molecular weight of 297.79 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline is sourced from PubChem (CID 104698563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).