4-chloro-2-methyl-1-propan-2-ylbenzimidazole

C11H13ClN2 — CID 83449668

IUPAC4-chloro-2-methyl-1-propan-2-ylbenzimidazole
SMILESCc1nc2c(Cl)cccc2n1C(C)C
InChIInChI=1S/C11H13ClN2/c1-7(2)14-8(3)13-11-9(12)5-4-6-10(11)14/h4-7H,1-3H3
InChIKeySVNKPDDITLUWBA-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.58
Rot. Bonds1

About 4-chloro-2-methyl-1-propan-2-ylbenzimidazole

4-chloro-2-methyl-1-propan-2-ylbenzimidazole (PubChem CID 83449668) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name4-chloro-2-methyl-1-propan-2-ylbenzimidazole
PubChem CID83449668
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name4-chloro-2-methyl-1-propan-2-ylbenzimidazole
SMILESCc1nc2c(Cl)cccc2n1C(C)C
InChIInChI=1S/C11H13ClN2/c1-7(2)14-8(3)13-11-9(12)5-4-6-10(11)14/h4-7H,1-3H3
InChIKeySVNKPDDITLUWBA-UHFFFAOYSA-N
XLogP3.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-chloro-1-propan-2-ylbenzimidazole
CID 83845123
1-butan-2-yl-4-chloro-2-(chloromethyl)benzimidazole
CID 104837361
4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
CID 104836790
4-chloro-2-(1-chloroethyl)-1-methylbenzimidazole
CID 104837313
2,4,6-trimethyl-1-propan-2-ylimidazo[4,5-c]pyridine
CID 130438251
4-chloro-2-(1-chloroethyl)-1-(5-methylhexan-2-yl)benzimidazole
CID 104838172
4-chloro-2-(2-chloroethyl)-1-(3,3-dimethylbutan-2-yl)benzimidazole
CID 104838671
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 104838576
4-chloro-2-(chloromethyl)-1-hexan-2-ylbenzimidazole
CID 104838029
4-chloro-2-(chloromethyl)-1-(4-methylhexan-2-yl)benzimidazole
CID 104838350
4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine
CID 113477819
4-chloro-2-(1-chloroethyl)-1-(4-methylhexan-2-yl)benzimidazole
CID 104838352

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1-propan-2-ylbenzimidazole?
The IUPAC name of 4-chloro-2-methyl-1-propan-2-ylbenzimidazole (CID 83449668) is 4-chloro-2-methyl-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 4-chloro-2-methyl-1-propan-2-ylbenzimidazole?
The canonical SMILES for 4-chloro-2-methyl-1-propan-2-ylbenzimidazole is Cc1nc2c(Cl)cccc2n1C(C)C.
What is the InChIKey of 4-chloro-2-methyl-1-propan-2-ylbenzimidazole?
The InChIKey is SVNKPDDITLUWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-7(2)14-8(3)13-11-9(12)5-4-6-10(11)14/h4-7H,1-3H3.
What are the key properties of 4-chloro-2-methyl-1-propan-2-ylbenzimidazole?
4-chloro-2-methyl-1-propan-2-ylbenzimidazole has a molecular weight of 208.69 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 83449668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).