2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole

C18H19ClN2 — CID 106900389

IUPAC2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole
SMILESCCc1ccc(Cn2c(CCl)nc3ccc(C)cc32)cc1
InChIInChI=1S/C18H19ClN2/c1-3-14-5-7-15(8-6-14)12-21-17-10-13(2)4-9-16(17)20-18(21)11-19/h4-10H,3,11-12H2,1-2H3
InChIKeyACRSYELRDSNICO-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.69
Rot. Bonds4

About 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole

2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole (PubChem CID 106900389) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole
PubChem CID106900389
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole
SMILESCCc1ccc(Cn2c(CCl)nc3ccc(C)cc32)cc1
InChIInChI=1S/C18H19ClN2/c1-3-14-5-7-15(8-6-14)12-21-17-10-13(2)4-9-16(17)20-18(21)11-19/h4-10H,3,11-12H2,1-2H3
InChIKeyACRSYELRDSNICO-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole (CID 106900389) is 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole is CCc1ccc(Cn2c(CCl)nc3ccc(C)cc32)cc1.
What is the InChIKey of 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole?
The InChIKey is ACRSYELRDSNICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-3-14-5-7-15(8-6-14)12-21-17-10-13(2)4-9-16(17)20-18(21)11-19/h4-10H,3,11-12H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole?
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole has a molecular weight of 298.82 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole is sourced from PubChem (CID 106900389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).