1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine

C22H20FN3O — CID 77456172

IUPAC1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine
SMILESNC(COCc1ccccc1)c1nc2ccc(F)cc2n1-c1ccccc1
InChIInChI=1S/C22H20FN3O/c23-17-11-12-20-21(13-17)26(18-9-5-2-6-10-18)22(25-20)19(24)15-27-14-16-7-3-1-4-8-16/h1-13,19H,14-15,24H2
InChIKeyXGTFYMQXJVCIKW-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.38
Rot. Bonds6

About 1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine

1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine (PubChem CID 77456172) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine
PubChem CID77456172
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine
SMILESNC(COCc1ccccc1)c1nc2ccc(F)cc2n1-c1ccccc1
InChIInChI=1S/C22H20FN3O/c23-17-11-12-20-21(13-17)26(18-9-5-2-6-10-18)22(25-20)19(24)15-27-14-16-7-3-1-4-8-16/h1-13,19H,14-15,24H2
InChIKeyXGTFYMQXJVCIKW-UHFFFAOYSA-N
XLogP4.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 140590519
tert-butyl N-[1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxypropyl]carbamate
CID 77456112
2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethanamine
CID 83421083
6-fluoro-2-methyl-1-phenylbenzimidazole
CID 25216870
1-[6-fluoro-1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine
CID 77456368
6-fluoro-2-(2-methoxyethyl)-1-phenylbenzimidazole
CID 123994693
2-[(1S)-1-aminopropyl]-6-fluoro-3-(3-fluorophenyl)quinazolin-4-one
CID 90235392
2-chloro-4-N-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]pyrimidine-4,5-diamine
CID 88948354
(1S)-1-(2,4-difluorophenyl)-2-[(2R)-1-phenylmethoxypropan-2-yl]oxyethanamine
CID 130242446
2-methyl-1-(1-phenylbenzimidazol-2-yl)butan-1-amine
CID 43470482
3-methylsulfanyl-1-(1-phenylbenzimidazol-2-yl)propan-1-amine
CID 43470493
(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54757557

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine?
The IUPAC name of 1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine (CID 77456172) is 1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine.
What is the SMILES notation for 1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine?
The canonical SMILES for 1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine is NC(COCc1ccccc1)c1nc2ccc(F)cc2n1-c1ccccc1.
What is the InChIKey of 1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine?
The InChIKey is XGTFYMQXJVCIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-17-11-12-20-21(13-17)26(18-9-5-2-6-10-18)22(25-20)19(24)15-27-14-16-7-3-1-4-8-16/h1-13,19H,14-15,24H2.
What are the key properties of 1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine?
1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine has a molecular weight of 361.42 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-phenylbenzimidazol-2-yl)-2-phenylmethoxyethanamine is sourced from PubChem (CID 77456172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).