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

C24H25N3O — CID 66528595

IUPAC3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
SMILESc1ccc(COc2ccc(CNCCCc3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C24H25N3O/c1-2-7-20(8-3-1)18-28-21-14-12-19(13-15-21)17-25-16-6-11-24-26-22-9-4-5-10-23(22)27-24/h1-5,7-10,12-15,25H,6,11,16-18H2,(H,26,27)
InChIKeyFBEBPLSHGKEOOR-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.86
Rot. Bonds9

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

3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine (PubChem CID 66528595) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
PubChem CID66528595
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
SMILESc1ccc(COc2ccc(CNCCCc3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C24H25N3O/c1-2-7-20(8-3-1)18-28-21-14-12-19(13-15-21)17-25-16-6-11-24-26-22-9-4-5-10-23(22)27-24/h1-5,7-10,12-15,25H,6,11,16-18H2,(H,26,27)
InChIKeyFBEBPLSHGKEOOR-UHFFFAOYSA-N
XLogP4.86
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529010
3-(1H-benzimidazol-2-yl)-N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529032
3-(1H-benzimidazol-2-yl)-N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529031
3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 66528584
3-(1H-benzimidazol-2-yl)-N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529023
3-(1H-benzimidazol-2-yl)-N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]propan-1-amine
CID 66528590
2-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 66526990
2-(1H-benzimidazol-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 66526963
3-(1H-benzimidazol-2-yl)-N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529028
3-(1H-benzimidazol-2-yl)-N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]propan-1-amine
CID 66537940
N-(1H-benzimidazol-2-ylmethyl)-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 66526473
3-(1H-benzimidazol-2-yl)-N-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66528976

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine (CID 66528595) is 3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine is c1ccc(COc2ccc(CNCCCc3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine?
The InChIKey is FBEBPLSHGKEOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-2-7-20(8-3-1)18-28-21-14-12-19(13-15-21)17-25-16-6-11-24-26-22-9-4-5-10-23(22)27-24/h1-5,7-10,12-15,25H,6,11,16-18H2,(H,26,27).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine?
3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine has a molecular weight of 371.48 g/mol, XLogP of 4.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 66528595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).