2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole

C18H13ClN2 — CID 14011823

IUPAC2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole
SMILESCn1c(-c2cccc(Cl)c2)nc2c3ccccc3ccc21
InChIInChI=1S/C18H13ClN2/c1-21-16-10-9-12-5-2-3-8-15(12)17(16)20-18(21)13-6-4-7-14(19)11-13/h2-11H,1H3
InChIKeyHGXZHAISSCTXCZ-UHFFFAOYSA-N
MW292.77 g/mol
LogP5.05
Rot. Bonds1

About 2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole

2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole (PubChem CID 14011823) has the molecular formula C18H13ClN2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole
PubChem CID14011823
Molecular FormulaC18H13ClN2
Molecular Weight292.77 g/mol
Exact Mass292.08
IUPAC Name2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole
SMILESCn1c(-c2cccc(Cl)c2)nc2c3ccccc3ccc21
InChIInChI=1S/C18H13ClN2/c1-21-16-10-9-12-5-2-3-8-15(12)17(16)20-18(21)13-6-4-7-14(19)11-13/h2-11H,1H3
InChIKeyHGXZHAISSCTXCZ-UHFFFAOYSA-N
XLogP5.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.77
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole?
The IUPAC name of 2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole (CID 14011823) is 2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole.
What is the SMILES notation for 2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole?
The canonical SMILES for 2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole is Cn1c(-c2cccc(Cl)c2)nc2c3ccccc3ccc21.
What is the InChIKey of 2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole?
The InChIKey is HGXZHAISSCTXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2/c1-21-16-10-9-12-5-2-3-8-15(12)17(16)20-18(21)13-6-4-7-14(19)11-13/h2-11H,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole?
2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole has a molecular weight of 292.77 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-methylbenzo[e]benzimidazole is sourced from PubChem (CID 14011823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).