2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole

C14H19ClN2 — CID 55031992

IUPAC2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole
SMILESCCC(C(C)C)n1c(CCl)nc2ccccc21
InChIInChI=1S/C14H19ClN2/c1-4-12(10(2)3)17-13-8-6-5-7-11(13)16-14(17)9-15/h5-8,10,12H,4,9H2,1-3H3
InChIKeyGWGOLQUBOYPKHN-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.38
Rot. Bonds4

About 2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole

2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole (PubChem CID 55031992) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole
PubChem CID55031992
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole
SMILESCCC(C(C)C)n1c(CCl)nc2ccccc21
InChIInChI=1S/C14H19ClN2/c1-4-12(10(2)3)17-13-8-6-5-7-11(13)16-14(17)9-15/h5-8,10,12H,4,9H2,1-3H3
InChIKeyGWGOLQUBOYPKHN-UHFFFAOYSA-N
XLogP4.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.38
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

2-(chloromethyl)-7-methyl-1-(2-methylpentan-3-yl)benzimidazole
CID 113334040
2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole
CID 43533654
2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide
CID 61467796
2-(chloromethyl)-6-fluoro-5-iodo-1-(2-methylpentan-3-yl)benzimidazole
CID 66094669
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 63838567
2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole
CID 55222184
N-tert-butyl-2-(2-ethylbenzimidazol-1-yl)-3-methylbutan-1-amine
CID 63105068
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
1-but-3-en-2-yl-2-ethylbenzimidazole
CID 116622499
N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 29075823
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-N,N,3-trimethylbutan-1-amine
CID 66081448
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole (CID 55031992) is 2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole is CCC(C(C)C)n1c(CCl)nc2ccccc21.
What is the InChIKey of 2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole?
The InChIKey is GWGOLQUBOYPKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-4-12(10(2)3)17-13-8-6-5-7-11(13)16-14(17)9-15/h5-8,10,12H,4,9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole?
2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole has a molecular weight of 250.77 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole is sourced from PubChem (CID 55031992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).