5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline

C17H16ClN3 — CID 115473239

IUPAC5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3ccc(Cl)cc3n2C2CC2)cc1N
InChIInChI=1S/C17H16ClN3/c1-10-2-3-11(8-14(10)19)17-20-15-7-4-12(18)9-16(15)21(17)13-5-6-13/h2-4,7-9,13H,5-6,19H2,1H3
InChIKeyFRHVOARUXWDIAV-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.58
Rot. Bonds2

About 5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline

5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline (PubChem CID 115473239) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline
PubChem CID115473239
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3ccc(Cl)cc3n2C2CC2)cc1N
InChIInChI=1S/C17H16ClN3/c1-10-2-3-11(8-14(10)19)17-20-15-7-4-12(18)9-16(15)21(17)13-5-6-13/h2-4,7-9,13H,5-6,19H2,1H3
InChIKeyFRHVOARUXWDIAV-UHFFFAOYSA-N
XLogP4.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 107812844
2-bromo-4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473314
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline
CID 104698563
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluoroaniline
CID 115473210
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915509
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60785041
4-chloro-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473292
4-bromo-3-(6-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 115473276
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783299
2-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3-fluorophenol
CID 136789763
5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-fluoroaniline
CID 60836884
6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 115470825

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline?
The IUPAC name of 5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline (CID 115473239) is 5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline?
The canonical SMILES for 5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline is Cc1ccc(-c2nc3ccc(Cl)cc3n2C2CC2)cc1N.
What is the InChIKey of 5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline?
The InChIKey is FRHVOARUXWDIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-10-2-3-11(8-14(10)19)17-20-15-7-4-12(18)9-16(15)21(17)13-5-6-13/h2-4,7-9,13H,5-6,19H2,1H3.
What are the key properties of 5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline?
5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline has a molecular weight of 297.79 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-2-methylaniline is sourced from PubChem (CID 115473239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).