1-(1-chloropropan-2-yl)-2-methylbenzimidazole

C11H13ClN2 — CID 21239359

IUPAC1-(1-chloropropan-2-yl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1C(C)CCl
InChIInChI=1S/C11H13ClN2/c1-8(7-12)14-9(2)13-10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3
InChIKeyMKRPUHYCJFZXGL-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.14
Rot. Bonds2

About 1-(1-chloropropan-2-yl)-2-methylbenzimidazole

1-(1-chloropropan-2-yl)-2-methylbenzimidazole (PubChem CID 21239359) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 1-(1-chloropropan-2-yl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(1-chloropropan-2-yl)-2-methylbenzimidazole
PubChem CID21239359
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name1-(1-chloropropan-2-yl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1C(C)CCl
InChIInChI=1S/C11H13ClN2/c1-8(7-12)14-9(2)13-10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3
InChIKeyMKRPUHYCJFZXGL-UHFFFAOYSA-N
XLogP3.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.14
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-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine
CID 62563525
3-(2-methylbenzimidazol-1-yl)butan-2-amine
CID 61351774
N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine
CID 62563351
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine
CID 62563007
N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine
CID 62563009
2-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-amine
CID 82144800
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole
CID 55031992
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 78913706

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropropan-2-yl)-2-methylbenzimidazole?
The IUPAC name of 1-(1-chloropropan-2-yl)-2-methylbenzimidazole (CID 21239359) is 1-(1-chloropropan-2-yl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(1-chloropropan-2-yl)-2-methylbenzimidazole?
The canonical SMILES for 1-(1-chloropropan-2-yl)-2-methylbenzimidazole is Cc1nc2ccccc2n1C(C)CCl.
What is the InChIKey of 1-(1-chloropropan-2-yl)-2-methylbenzimidazole?
The InChIKey is MKRPUHYCJFZXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-8(7-12)14-9(2)13-10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(1-chloropropan-2-yl)-2-methylbenzimidazole?
1-(1-chloropropan-2-yl)-2-methylbenzimidazole has a molecular weight of 208.69 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropropan-2-yl)-2-methylbenzimidazole is sourced from PubChem (CID 21239359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).