1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine

C21H19N3 — CID 16660556

IUPAC1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
SMILESCC(N)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H19N3/c1-15(22)17-10-11-21-20(13-17)23-14-24(21)19-9-5-8-18(12-19)16-6-3-2-4-7-16/h2-15H,22H2,1H3
InChIKeyCJKRCJXOIXCMQV-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.71
Rot. Bonds3

About 1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine

1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine (PubChem CID 16660556) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
PubChem CID16660556
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
SMILESCC(N)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H19N3/c1-15(22)17-10-11-21-20(13-17)23-14-24(21)19-9-5-8-18(12-19)16-6-3-2-4-7-16/h2-15H,22H2,1H3
InChIKeyCJKRCJXOIXCMQV-UHFFFAOYSA-N
XLogP4.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine;(1S)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 157206160
N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide
CID 67096068
(1S)-1-[1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096101
(1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096152
(1R)-1-[1-[3-(3-chloro-2,6-difluorophenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67095912
1-[1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 16659568
[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate
CID 69023101
(1R)-1-[1-[3-(2,3-difluoro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096003
(1R)-1-[1-[3-(3-chloro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67095940
(1S)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67095861
1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 16661482
3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile
CID 46205030

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine?
The IUPAC name of 1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine (CID 16660556) is 1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine?
The canonical SMILES for 1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine is CC(N)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine?
The InChIKey is CJKRCJXOIXCMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-15(22)17-10-11-21-20(13-17)23-14-24(21)19-9-5-8-18(12-19)16-6-3-2-4-7-16/h2-15H,22H2,1H3.
What are the key properties of 1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine?
1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine has a molecular weight of 313.40 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine is sourced from PubChem (CID 16660556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).