[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol

C16H16FN3O — CID 77456184

IUPAC[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol
SMILESCC(N)c1nc2ccc(F)c(CO)c2n1-c1ccccc1
InChIInChI=1S/C16H16FN3O/c1-10(18)16-19-14-8-7-13(17)12(9-21)15(14)20(16)11-5-3-2-4-6-11/h2-8,10,21H,9,18H2,1H3
InChIKeyXWTDFJWHUUAEJD-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.68
Rot. Bonds3

About [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol

[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol (PubChem CID 77456184) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol
PubChem CID77456184
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol
SMILESCC(N)c1nc2ccc(F)c(CO)c2n1-c1ccccc1
InChIInChI=1S/C16H16FN3O/c1-10(18)16-19-14-8-7-13(17)12(9-21)15(14)20(16)11-5-3-2-4-6-11/h2-8,10,21H,9,18H2,1H3
InChIKeyXWTDFJWHUUAEJD-UHFFFAOYSA-N
XLogP2.68
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone
CID 77456244
1-(6-fluoro-1-methyl-7-pyridin-2-ylbenzimidazol-2-yl)ethanamine
CID 77456052
2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one
CID 90233110
2-(1-chloroethyl)-6,7-difluoro-1-(3-methylphenyl)benzimidazole
CID 63547243
tert-butyl N-[1-(7-chloro-6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]carbamate
CID 77456126
2-[(1S)-1-aminoethyl]-5-(difluoromethyl)-3-phenylquinazolin-4-one
CID 90232930
2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one
CID 59455379
7-chloro-2-ethyl-6-fluoro-1-phenylbenzimidazole
CID 123855815
1-(1-pyridin-4-ylbenzimidazol-2-yl)ethanamine
CID 78166390
6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 140590519
N-ethyl-6-fluoro-7-methyl-1-phenylbenzimidazol-2-amine
CID 123962648
2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine
CID 43470482

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol?
The IUPAC name of [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol (CID 77456184) is [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol.
What is the SMILES notation for [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol?
The canonical SMILES for [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol is CC(N)c1nc2ccc(F)c(CO)c2n1-c1ccccc1.
What is the InChIKey of [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol?
The InChIKey is XWTDFJWHUUAEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-10(18)16-19-14-8-7-13(17)12(9-21)15(14)20(16)11-5-3-2-4-6-11/h2-8,10,21H,9,18H2,1H3.
What are the key properties of [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol?
[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol has a molecular weight of 285.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]methanol is sourced from PubChem (CID 77456184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).