6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole

C16H14Cl2N2 — CID 46310462

IUPAC6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
SMILESCCn1c(Cc2ccc(Cl)cc2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H14Cl2N2/c1-2-20-15-10-13(18)7-8-14(15)19-16(20)9-11-3-5-12(17)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyAURAVKUFNBTSRU-UHFFFAOYSA-N
MW305.21 g/mol
LogP4.95
Rot. Bonds3

About 6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole

6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole (PubChem CID 46310462) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
PubChem CID46310462
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
SMILESCCn1c(Cc2ccc(Cl)cc2)nc2ccc(Cl)cc21
InChIInChI=1S/C16H14Cl2N2/c1-2-20-15-10-13(18)7-8-14(15)19-16(20)9-11-3-5-12(17)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyAURAVKUFNBTSRU-UHFFFAOYSA-N
XLogP4.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole?
The IUPAC name of 6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole (CID 46310462) is 6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole.
What is the SMILES notation for 6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole?
The canonical SMILES for 6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole is CCn1c(Cc2ccc(Cl)cc2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole?
The InChIKey is AURAVKUFNBTSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2/c1-2-20-15-10-13(18)7-8-14(15)19-16(20)9-11-3-5-12(17)6-4-11/h3-8,10H,2,9H2,1H3.
What are the key properties of 6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole?
6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole has a molecular weight of 305.21 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole is sourced from PubChem (CID 46310462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).