3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine

C23H23N3 — CID 66528584

IUPAC3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine
SMILESc1ccc(-c2ccc(CNCCCc3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C23H23N3/c1-2-7-19(8-3-1)20-14-12-18(13-15-20)17-24-16-6-11-23-25-21-9-4-5-10-22(21)26-23/h1-5,7-10,12-15,24H,6,11,16-17H2,(H,25,26)
InChIKeyLIWHABQLKQDSHS-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.95
Rot. Bonds7

About 3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine

3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine (PubChem CID 66528584) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine
PubChem CID66528584
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine
SMILESc1ccc(-c2ccc(CNCCCc3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C23H23N3/c1-2-7-19(8-3-1)20-14-12-18(13-15-20)17-24-16-6-11-23-25-21-9-4-5-10-22(21)26-23/h1-5,7-10,12-15,24H,6,11,16-17H2,(H,25,26)
InChIKeyLIWHABQLKQDSHS-UHFFFAOYSA-N
XLogP4.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
CID 66528595
3-(1H-benzimidazol-2-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529010
2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 66526945
3-(1H-benzimidazol-2-yl)-N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529031
N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
CID 83961805
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
3-(1H-benzimidazol-2-yl)-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529032
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline
CID 124824368
3-(1H-benzimidazol-2-yl)-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]propan-1-amine
CID 66529005
3-(1H-benzimidazol-2-yl)-N-[(3,5-dichloro-4-ethoxyphenyl)methyl]propan-1-amine
CID 66529012

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine (CID 66528584) is 3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine is c1ccc(-c2ccc(CNCCCc3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine?
The InChIKey is LIWHABQLKQDSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-2-7-19(8-3-1)20-14-12-18(13-15-20)17-24-16-6-11-23-25-21-9-4-5-10-22(21)26-23/h1-5,7-10,12-15,24H,6,11,16-17H2,(H,25,26).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine?
3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine has a molecular weight of 341.46 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 66528584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).