1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole

C18H17F2N3 — CID 112810866

IUPAC1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole
SMILESCC(c1nc2ccccc2n1C(F)F)N1CCc2ccccc21
InChIInChI=1S/C18H17F2N3/c1-12(22-11-10-13-6-2-4-8-15(13)22)17-21-14-7-3-5-9-16(14)23(17)18(19)20/h2-9,12,18H,10-11H2,1H3
InChIKeyDCAGMNGNUAMWHJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.56
Rot. Bonds3

About 1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole

1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole (PubChem CID 112810866) has the molecular formula C18H17F2N3 and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole
PubChem CID112810866
Molecular FormulaC18H17F2N3
Molecular Weight313.35 g/mol
Exact Mass313.14
IUPAC Name1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole
SMILESCC(c1nc2ccccc2n1C(F)F)N1CCc2ccccc21
InChIInChI=1S/C18H17F2N3/c1-12(22-11-10-13-6-2-4-8-15(13)22)17-21-14-7-3-5-9-16(14)23(17)18(19)20/h2-9,12,18H,10-11H2,1H3
InChIKeyDCAGMNGNUAMWHJ-UHFFFAOYSA-N
XLogP4.56
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol
CID 46555831
(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol
CID 7042738
1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole
CID 17428540
2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole
CID 154766136
(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 41088280
1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775778
N-[[(3S)-1-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]pyrrolidin-3-yl]methyl]-N-methylethanamine
CID 98872965
N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
CID 55739430
ethyl 4-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazine-1-carboxylate
CID 25330445
1-adamantyl-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]methanone
CID 55499484
2-[(1R)-1-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612968
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
CID 18155834

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole?
The IUPAC name of 1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole (CID 112810866) is 1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole?
The canonical SMILES for 1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole is CC(c1nc2ccccc2n1C(F)F)N1CCc2ccccc21.
What is the InChIKey of 1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole?
The InChIKey is DCAGMNGNUAMWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3/c1-12(22-11-10-13-6-2-4-8-15(13)22)17-21-14-7-3-5-9-16(14)23(17)18(19)20/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole?
1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole has a molecular weight of 313.35 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole is sourced from PubChem (CID 112810866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).