2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole

C18H19ClN2 — CID 106900384

IUPAC2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole
SMILESCCc1ccc(Cn2c(CCl)nc3cccc(C)c32)cc1
InChIInChI=1S/C18H19ClN2/c1-3-14-7-9-15(10-8-14)12-21-17(11-19)20-16-6-4-5-13(2)18(16)21/h4-10H,3,11-12H2,1-2H3
InChIKeyQYSDDDWIRVNORR-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.69
Rot. Bonds4

About 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole

2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole (PubChem CID 106900384) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole
PubChem CID106900384
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole
SMILESCCc1ccc(Cn2c(CCl)nc3cccc(C)c32)cc1
InChIInChI=1S/C18H19ClN2/c1-3-14-7-9-15(10-8-14)12-21-17(11-19)20-16-6-4-5-13(2)18(16)21/h4-10H,3,11-12H2,1-2H3
InChIKeyQYSDDDWIRVNORR-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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Related Compounds

4-[[2-(chloromethyl)-7-methylbenzimidazol-1-yl]methyl]benzonitrile
CID 115553385
1-benzyl-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115552681
2-(chloromethyl)-7-methyl-1-[(5-methylthiophen-2-yl)methyl]benzimidazole
CID 113334051
2-(chloromethyl)-7-methyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 104763412
4-[[2-(chloromethyl)-7-methylbenzimidazol-1-yl]methyl]-1,3-thiazole
CID 115553507
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole
CID 106900389
2-(2-chloroethyl)-7-methyl-1-propylbenzimidazole
CID 115552731
2-(chloromethyl)-1-(cyclopentylmethyl)-7-methylbenzimidazole
CID 115552982
2-(chloromethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
CID 115552971
2-(2-chloroethyl)-1-[(3-chlorophenyl)methyl]-7-methylbenzimidazole
CID 115553408
2-(chloromethyl)-7-methyl-1-propan-2-ylbenzimidazole
CID 115552648
N-[2-[2-(chloromethyl)-7-methylbenzimidazol-1-yl]ethyl]methanesulfonamide
CID 115553019

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole (CID 106900384) is 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole is CCc1ccc(Cn2c(CCl)nc3cccc(C)c32)cc1.
What is the InChIKey of 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole?
The InChIKey is QYSDDDWIRVNORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-3-14-7-9-15(10-8-14)12-21-17(11-19)20-16-6-4-5-13(2)18(16)21/h4-10H,3,11-12H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-methylbenzimidazole?
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-7-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]-7-methylbenzimidazole is sourced from PubChem (CID 106900384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).