2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole

C14H19ClN2 — CID 79751041

IUPAC2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole
SMILESCC(Cl)CC(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H19ClN2/c1-10(8-11(2)15)9-14-16-12-6-4-5-7-13(12)17(14)3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyHEOSZHOVPXARFG-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.77
Rot. Bonds4

About 2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole

2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole (PubChem CID 79751041) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole
PubChem CID79751041
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole
SMILESCC(Cl)CC(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C14H19ClN2/c1-10(8-11(2)15)9-14-16-12-6-4-5-7-13(12)17(14)3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyHEOSZHOVPXARFG-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
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-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 112575265
2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid
CID 81009059
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole?
The IUPAC name of 2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole (CID 79751041) is 2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole.
What is the SMILES notation for 2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole?
The canonical SMILES for 2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole is CC(Cl)CC(C)Cc1nc2ccccc2n1C.
What is the InChIKey of 2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole?
The InChIKey is HEOSZHOVPXARFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-10(8-11(2)15)9-14-16-12-6-4-5-7-13(12)17(14)3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole?
2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole has a molecular weight of 250.77 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole is sourced from PubChem (CID 79751041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).