2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole

C19H21ClN2 — CID 18878404

IUPAC2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole
SMILESCCC(C)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H21ClN2/c1-3-14(2)13-22-18-7-5-4-6-17(18)21-19(22)12-15-8-10-16(20)11-9-15/h4-11,14H,3,12-13H2,1-2H3
InChIKeyGQDOTOJWACUGLU-UHFFFAOYSA-N
MW312.84 g/mol
LogP5.33
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole

2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole (PubChem CID 18878404) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole
PubChem CID18878404
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole
SMILESCCC(C)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H21ClN2/c1-3-14(2)13-22-18-7-5-4-6-17(18)21-19(22)12-15-8-10-16(20)11-9-15/h4-11,14H,3,12-13H2,1-2H3
InChIKeyGQDOTOJWACUGLU-UHFFFAOYSA-N
XLogP5.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.84
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 3344843
1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
CID 4626924
2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole
CID 18878400
2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole
CID 975612
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032527
2-(4-chlorophenyl)-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]acetamide
CID 16972996
3-[1-(2-methylbutyl)benzimidazol-2-yl]propan-1-ol
CID 2945571
2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole
CID 18878418
2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
CID 18878777
2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole
CID 18878391
4-[(1-ethylbenzimidazol-2-yl)methyl]phenol
CID 43142753
6-chloro-2-(2-chloroethyl)-1-(2-methylbutyl)benzimidazole
CID 115471463

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole (CID 18878404) is 2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole is CCC(C)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole?
The InChIKey is GQDOTOJWACUGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2/c1-3-14(2)13-22-18-7-5-4-6-17(18)21-19(22)12-15-8-10-16(20)11-9-15/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole?
2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole has a molecular weight of 312.84 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole is sourced from PubChem (CID 18878404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).