1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine

C17H24F2N4 — CID 120775778

IUPAC1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine
SMILESCC(c1nc2ccccc2n1C(F)F)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C17H24F2N4/c1-11(22-9-8-14(20)17(2,3)10-22)15-21-12-6-4-5-7-13(12)23(15)16(18)19/h4-7,11,14,16H,8-10,20H2,1-3H3
InChIKeyAHPJJORLBSAUBW-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.55
Rot. Bonds3

About 1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine

1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120775778) has the molecular formula C17H24F2N4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120775778
Molecular FormulaC17H24F2N4
Molecular Weight322.40 g/mol
Exact Mass322.20
IUPAC Name1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine
SMILESCC(c1nc2ccccc2n1C(F)F)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C17H24F2N4/c1-11(22-9-8-14(20)17(2,3)10-22)15-21-12-6-4-5-7-13(12)23(15)16(18)19/h4-7,11,14,16H,8-10,20H2,1-3H3
InChIKeyAHPJJORLBSAUBW-UHFFFAOYSA-N
XLogP3.55
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-(azetidin-1-yl)piperidin-1-yl]ethyl]-1-(difluoromethyl)benzimidazole
CID 154766136
N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
CID 55739430
N-[[(3S)-1-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]pyrrolidin-3-yl]methyl]-N-methylethanamine
CID 98872965
N-[[(3R)-1-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]pyrrolidin-3-yl]methyl]-N-methylethanamine
CID 98872967
1-(difluoromethyl)-2-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzimidazole
CID 17428540
2-[4-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperazin-1-yl]phenol
CID 46555831
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
1-(difluoromethyl)-2-[1-(2,3-dihydroindol-1-yl)ethyl]benzimidazole
CID 112810866
(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethanol
CID 7042738
3-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-3-yl]propanoic acid
CID 122101015
(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 41088280

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine (CID 120775778) is 1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine is CC(c1nc2ccccc2n1C(F)F)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is AHPJJORLBSAUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4/c1-11(22-9-8-14(20)17(2,3)10-22)15-21-12-6-4-5-7-13(12)23(15)16(18)19/h4-7,11,14,16H,8-10,20H2,1-3H3.
What are the key properties of 1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine?
1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 322.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120775778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).