6-chloro-2-cyclopropyl-1-methylbenzimidazole

C11H11ClN2 — CID 46310330

IUPAC6-chloro-2-cyclopropyl-1-methylbenzimidazole
SMILESCn1c(C2CC2)nc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClN2/c1-14-10-6-8(12)4-5-9(10)13-11(14)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyMDXYDLAKTUTMIH-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.10
Rot. Bonds1

About 6-chloro-2-cyclopropyl-1-methylbenzimidazole

6-chloro-2-cyclopropyl-1-methylbenzimidazole (PubChem CID 46310330) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-1-methylbenzimidazole.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-1-methylbenzimidazole
PubChem CID46310330
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name6-chloro-2-cyclopropyl-1-methylbenzimidazole
SMILESCn1c(C2CC2)nc2ccc(Cl)cc21
InChIInChI=1S/C11H11ClN2/c1-14-10-6-8(12)4-5-9(10)13-11(14)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyMDXYDLAKTUTMIH-UHFFFAOYSA-N
XLogP3.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-1-methylbenzimidazole?
The IUPAC name of 6-chloro-2-cyclopropyl-1-methylbenzimidazole (CID 46310330) is 6-chloro-2-cyclopropyl-1-methylbenzimidazole.
What is the SMILES notation for 6-chloro-2-cyclopropyl-1-methylbenzimidazole?
The canonical SMILES for 6-chloro-2-cyclopropyl-1-methylbenzimidazole is Cn1c(C2CC2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-cyclopropyl-1-methylbenzimidazole?
The InChIKey is MDXYDLAKTUTMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-14-10-6-8(12)4-5-9(10)13-11(14)7-2-3-7/h4-7H,2-3H2,1H3.
What are the key properties of 6-chloro-2-cyclopropyl-1-methylbenzimidazole?
6-chloro-2-cyclopropyl-1-methylbenzimidazole has a molecular weight of 206.68 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-1-methylbenzimidazole is sourced from PubChem (CID 46310330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).