1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine

C17H24F2N4 — CID 71935215

IUPAC1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine
SMILESCCn1c(CNC2CCN(CC(F)F)CC2)nc2ccccc21
InChIInChI=1S/C17H24F2N4/c1-2-23-15-6-4-3-5-14(15)21-17(23)11-20-13-7-9-22(10-8-13)12-16(18)19/h3-6,13,16,20H,2,7-12H2,1H3
InChIKeyTVCIVSKWTCBUAA-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.88
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine

1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine (PubChem CID 71935215) has the molecular formula C17H24F2N4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine
PubChem CID71935215
Molecular FormulaC17H24F2N4
Molecular Weight322.40 g/mol
Exact Mass322.20
IUPAC Name1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine
SMILESCCn1c(CNC2CCN(CC(F)F)CC2)nc2ccccc21
InChIInChI=1S/C17H24F2N4/c1-2-23-15-6-4-3-5-14(15)21-17(23)11-20-13-7-9-22(10-8-13)12-16(18)19/h3-6,13,16,20H,2,7-12H2,1H3
InChIKeyTVCIVSKWTCBUAA-UHFFFAOYSA-N
XLogP2.88
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine
CID 119137487
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
CID 62319804
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 55068076
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993863
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124241
2-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750335
N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
CID 103516859

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine (CID 71935215) is 1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine is CCn1c(CNC2CCN(CC(F)F)CC2)nc2ccccc21.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is TVCIVSKWTCBUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4/c1-2-23-15-6-4-3-5-14(15)21-17(23)11-20-13-7-9-22(10-8-13)12-16(18)19/h3-6,13,16,20H,2,7-12H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine?
1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 322.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 71935215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).