5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole

C12H12F2N2 — CID 116841728

IUPAC5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole
SMILESCn1cnc2cc(C(F)(F)C3CC3)ccc21
InChIInChI=1S/C12H12F2N2/c1-16-7-15-10-6-9(4-5-11(10)16)12(13,14)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyQJDVTBAAUNIYAA-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.08
Rot. Bonds2

About 5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole

5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole (PubChem CID 116841728) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole
PubChem CID116841728
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole
SMILESCn1cnc2cc(C(F)(F)C3CC3)ccc21
InChIInChI=1S/C12H12F2N2/c1-16-7-15-10-6-9(4-5-11(10)16)12(13,14)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyQJDVTBAAUNIYAA-UHFFFAOYSA-N
XLogP3.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[difluoro(pyrrolidin-3-yl)methyl]-1-methylbenzimidazole
CID 116839115
1,1-difluoro-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 116839318
1-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzimidazole
CID 91474123
4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine
CID 115149791
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine
CID 115118759
1,5-dimethylbenzimidazole;ethene
CID 145318091
2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine
CID 82495022
2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile
CID 115131551
2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]ethanethiol
CID 115224519
2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115257973
N-[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]carbamoyl chloride
CID 115195194

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole?
The IUPAC name of 5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole (CID 116841728) is 5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole.
What is the SMILES notation for 5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole?
The canonical SMILES for 5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole is Cn1cnc2cc(C(F)(F)C3CC3)ccc21.
What is the InChIKey of 5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole?
The InChIKey is QJDVTBAAUNIYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c1-16-7-15-10-6-9(4-5-11(10)16)12(13,14)8-2-3-8/h4-8H,2-3H2,1H3.
What are the key properties of 5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole?
5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole has a molecular weight of 222.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(difluoro)methyl]-1-methylbenzimidazole is sourced from PubChem (CID 116841728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).