4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline

C17H16ClN3 — CID 115913056

IUPAC4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline
SMILESCn1c(C2(c3ccc(N)cc3)CC2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClN3/c1-21-15-10-12(18)4-7-14(15)20-16(21)17(8-9-17)11-2-5-13(19)6-3-11/h2-7,10H,8-9,19H2,1H3
InChIKeyOMUYEOYMGWMMBS-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.89
Rot. Bonds2

About 4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline

4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline (PubChem CID 115913056) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline
PubChem CID115913056
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline
SMILESCn1c(C2(c3ccc(N)cc3)CC2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClN3/c1-21-15-10-12(18)4-7-14(15)20-16(21)17(8-9-17)11-2-5-13(19)6-3-11/h2-7,10H,8-9,19H2,1H3
InChIKeyOMUYEOYMGWMMBS-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline?
The IUPAC name of 4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline (CID 115913056) is 4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline.
What is the SMILES notation for 4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline?
The canonical SMILES for 4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline is Cn1c(C2(c3ccc(N)cc3)CC2)nc2ccc(Cl)cc21.
What is the InChIKey of 4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline?
The InChIKey is OMUYEOYMGWMMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-21-15-10-12(18)4-7-14(15)20-16(21)17(8-9-17)11-2-5-13(19)6-3-11/h2-7,10H,8-9,19H2,1H3.
What are the key properties of 4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline?
4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline has a molecular weight of 297.79 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]aniline is sourced from PubChem (CID 115913056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).