N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine

C27H24N4 — CID 11983428

IUPACN-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine
SMILESCC(NCc1ccccc1)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1
InChIInChI=1S/C27H24N4/c1-20(29-17-21-7-3-2-4-8-21)22-12-13-27-26(16-22)30-19-31(27)25-11-5-9-23(15-25)24-10-6-14-28-18-24/h2-16,18-20,29H,17H2,1H3
InChIKeyWBFXCSSYQVCGJV-UHFFFAOYSA-N
MW404.52 g/mol
LogP5.94
Rot. Bonds6

About N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine

N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine (PubChem CID 11983428) has the molecular formula C27H24N4 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine
PubChem CID11983428
Molecular FormulaC27H24N4
Molecular Weight404.52 g/mol
Exact Mass404.20
IUPAC NameN-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine
SMILESCC(NCc1ccccc1)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1
InChIInChI=1S/C27H24N4/c1-20(29-17-21-7-3-2-4-8-21)22-12-13-27-26(16-22)30-19-31(27)25-11-5-9-23(15-25)24-10-6-14-28-18-24/h2-16,18-20,29H,17H2,1H3
InChIKeyWBFXCSSYQVCGJV-UHFFFAOYSA-N
XLogP5.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.52
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole
CID 19425997
N-methoxy-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine
CID 11983443
N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine
CID 170990930
N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide
CID 67096068
1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 16660556
ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole
CID 143307448
N-(1-phenylethyl)-4-(5-pyridin-3-ylbenzimidazol-1-yl)pyrimidin-2-amine
CID 18375556
3-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]pyridine-4-carbonitrile
CID 46205030
pyridin-3-ylmethyl 3-(5-phenylbenzimidazol-1-yl)benzoate
CID 22741872
(1S)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine;(1S)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 157206160
N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
CID 22391380
N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide
CID 67096012

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine?
The IUPAC name of N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine (CID 11983428) is N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine.
What is the SMILES notation for N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine?
The canonical SMILES for N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine is CC(NCc1ccccc1)c1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1.
What is the InChIKey of N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine?
The InChIKey is WBFXCSSYQVCGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4/c1-20(29-17-21-7-3-2-4-8-21)22-12-13-27-26(16-22)30-19-31(27)25-11-5-9-23(15-25)24-10-6-14-28-18-24/h2-16,18-20,29H,17H2,1H3.
What are the key properties of N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine?
N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine has a molecular weight of 404.52 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine is sourced from PubChem (CID 11983428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).