3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile

C21H17N5 — CID 46205030

IUPAC3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile
SMILESC[C@@H](N)c1ccc2c(c1)ncn2-c1cccc(-c2cnccc2C#N)c1
InChIInChI=1S/C21H17N5/c1-14(23)15-5-6-21-20(10-15)25-13-26(21)18-4-2-3-16(9-18)19-12-24-8-7-17(19)11-22/h2-10,12-14H,23H2,1H3/t14-/m1/s1
InChIKeyMMCZIMOZVQUTDV-CQSZACIVSA-N
MW339.40 g/mol
LogP3.98
Rot. Bonds3

About 3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile

3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile (PubChem CID 46205030) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile
PubChem CID46205030
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile
SMILESC[C@@H](N)c1ccc2c(c1)ncn2-c1cccc(-c2cnccc2C#N)c1
InChIInChI=1S/C21H17N5/c1-14(23)15-5-6-21-20(10-15)25-13-26(21)18-4-2-3-16(9-18)19-12-24-8-7-17(19)11-22/h2-10,12-14H,23H2,1H3/t14-/m1/s1
InChIKeyMMCZIMOZVQUTDV-CQSZACIVSA-N
XLogP3.98
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 16660556
3-[5-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]-2-fluorophenyl]benzonitrile
CID 46207970
(1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096152
[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate
CID 69023101
5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole
CID 19425997
(1S)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine;(1S)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 157206160
(1R)-1-[1-[3-(3-chloro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67095940
1-[1-[3-(4-fluoro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 16661482
(1S)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67095861
(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
(1S)-1-[1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096101

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile?
The IUPAC name of 3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile (CID 46205030) is 3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile is C[C@@H](N)c1ccc2c(c1)ncn2-c1cccc(-c2cnccc2C#N)c1.
What is the InChIKey of 3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile?
The InChIKey is MMCZIMOZVQUTDV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H17N5/c1-14(23)15-5-6-21-20(10-15)25-13-26(21)18-4-2-3-16(9-18)19-12-24-8-7-17(19)11-22/h2-10,12-14H,23H2,1H3/t14-/m1/s1.
What are the key properties of 3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile?
3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile has a molecular weight of 339.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile is sourced from PubChem (CID 46205030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).