2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane

C13H16F2N2 — CID 162380964

IUPAC2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane
SMILESCC.Cc1c(F)cc2[nH]c(C3CC3)nc2c1F
InChIInChI=1S/C11H10F2N2.C2H6/c1-5-7(12)4-8-10(9(5)13)15-11(14-8)6-2-3-6;1-2/h4,6H,2-3H2,1H3,(H,14,15);1-2H3
InChIKeyWCJZSUUZQKSNOD-UHFFFAOYSA-N
MW238.28 g/mol
LogP4.05
Rot. Bonds1

About 2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane

2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane (PubChem CID 162380964) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane.

Molecular Properties

Compound Name2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane
PubChem CID162380964
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane
SMILESCC.Cc1c(F)cc2[nH]c(C3CC3)nc2c1F
InChIInChI=1S/C11H10F2N2.C2H6/c1-5-7(12)4-8-10(9(5)13)15-11(14-8)6-2-3-6;1-2/h4,6H,2-3H2,1H3,(H,14,15);1-2H3
InChIKeyWCJZSUUZQKSNOD-UHFFFAOYSA-N
XLogP4.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-7-methyl-3H-benzimidazol-5-ol
CID 66978175
2-cyclopropyl-6-methyl-1H-benzimidazol-4-amine
CID 83697347
2-cycloheptyl-4,6-dimethyl-1H-benzimidazole
CID 82946449
(3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 139505054
2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole
CID 81462663
4-fluoro-2-piperidin-4-yl-1H-benzimidazole
CID 54592970
4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole
CID 104622397
2-cyclopropyl-4-ethyl-1H-benzimidazole
CID 91216645
2-cyclopropyl-N-methyl-1H-benzimidazol-4-amine
CID 91442078
4-(2-cyclopropyl-7-methyl-3H-benzimidazol-5-yl)-2,3,5-trimethyl-3H-1,2-oxazole
CID 144744251
3-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 66030987
N-[[5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
CID 146159880

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane?
The IUPAC name of 2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane (CID 162380964) is 2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane.
What is the SMILES notation for 2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane?
The canonical SMILES for 2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane is CC.Cc1c(F)cc2[nH]c(C3CC3)nc2c1F.
What is the InChIKey of 2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane?
The InChIKey is WCJZSUUZQKSNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2.C2H6/c1-5-7(12)4-8-10(9(5)13)15-11(14-8)6-2-3-6;1-2/h4,6H,2-3H2,1H3,(H,14,15);1-2H3.
What are the key properties of 2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane?
2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane has a molecular weight of 238.28 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,6-difluoro-5-methyl-1H-benzimidazole;ethane is sourced from PubChem (CID 162380964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).