N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine

C14H19F2N3 — CID 103516859

IUPACN-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
SMILESCCNC(Cc1nc2ccccc2n1CC)C(F)F
InChIInChI=1S/C14H19F2N3/c1-3-17-11(14(15)16)9-13-18-10-7-5-6-8-12(10)19(13)4-2/h5-8,11,14,17H,3-4,9H2,1-2H3
InChIKeyQLMHMBSOJXUQSH-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.84
Rot. Bonds6

About N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine

N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine (PubChem CID 103516859) has the molecular formula C14H19F2N3 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
PubChem CID103516859
Molecular FormulaC14H19F2N3
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
SMILESCCNC(Cc1nc2ccccc2n1CC)C(F)F
InChIInChI=1S/C14H19F2N3/c1-3-17-11(14(15)16)9-13-18-10-7-5-6-8-12(10)19(13)4-2/h5-8,11,14,17H,3-4,9H2,1-2H3
InChIKeyQLMHMBSOJXUQSH-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine
CID 103516858
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine
CID 105007782
1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 103516847
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine
CID 79751150
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81011531
3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 105007759
[1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272000
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-pyridin-2-ylethanamine
CID 79756296
4-(2,2-difluoroethoxy)-1-(1-ethylbenzimidazol-2-yl)butan-2-ol
CID 103147708

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine?
The IUPAC name of N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine (CID 103516859) is N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine?
The canonical SMILES for N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine is CCNC(Cc1nc2ccccc2n1CC)C(F)F.
What is the InChIKey of N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine?
The InChIKey is QLMHMBSOJXUQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3/c1-3-17-11(14(15)16)9-13-18-10-7-5-6-8-12(10)19(13)4-2/h5-8,11,14,17H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine?
N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine has a molecular weight of 267.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 103516859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).