6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole

C11H11ClN2 — CID 60648934

IUPAC6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole
SMILESCC1CC1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H11ClN2/c1-6-4-8(6)11-13-9-3-2-7(12)5-10(9)14-11/h2-3,5-6,8H,4H2,1H3,(H,13,14)
InChIKeyRZKMSWHPAWJYNO-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.34
Rot. Bonds1

About 6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole

6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole (PubChem CID 60648934) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole
PubChem CID60648934
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole
SMILESCC1CC1c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H11ClN2/c1-6-4-8(6)11-13-9-3-2-7(12)5-10(9)14-11/h2-3,5-6,8H,4H2,1H3,(H,13,14)
InChIKeyRZKMSWHPAWJYNO-UHFFFAOYSA-N
XLogP3.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
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1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol
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2-(6-chloro-1H-benzimidazol-2-yl)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole (CID 60648934) is 6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole is CC1CC1c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole?
The InChIKey is RZKMSWHPAWJYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-6-4-8(6)11-13-9-3-2-7(12)5-10(9)14-11/h2-3,5-6,8H,4H2,1H3,(H,13,14).
What are the key properties of 6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole?
6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole has a molecular weight of 206.68 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole is sourced from PubChem (CID 60648934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).