1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine

C25H21N3O — CID 15993128

IUPAC1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C25H21N3O/c1-29-22-12-10-21(11-13-22)28-17-27-24-15-20(9-14-25(24)28)26-16-19-7-4-6-18-5-2-3-8-23(18)19/h2-15,17,26H,16H2,1H3
InChIKeyUGDIFWIKOWHDAS-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.80
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine

1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine (PubChem CID 15993128) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine
PubChem CID15993128
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine
SMILESCOc1ccc(-n2cnc3cc(NCc4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C25H21N3O/c1-29-22-12-10-21(11-13-22)28-17-27-24-15-20(9-14-25(24)28)26-16-19-7-4-6-18-5-2-3-8-23(18)19/h2-15,17,26H,16H2,1H3
InChIKeyUGDIFWIKOWHDAS-UHFFFAOYSA-N
XLogP5.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
1-(4-Methoxy-3-Methylbenzyl)-5,6,7,8-Tetrahydro-1h-Naphtho[2,3-D]imidazole
CID 73442217
1-(4-methoxyphenyl)-N-(4-methylbenzyl)-1H-benzimidazol-5-amine
CID 4341432
2-[[[1-(4-Methoxyphenyl)benzimidazol-5-yl]amino]methyl]phenol
CID 672701
N-(2,3-dimethoxybenzyl)-1-(4-methoxyphenyl)-1H-benzimidazol-5-amine
CID 1124051
1-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzimidazol-5-amine
CID 3713839
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 24748634
1-(4-methoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 66794200
N-[(3,4-dimethoxyphenyl)methyl]-1-phenylbenzimidazol-5-amine
CID 1349681
7-benzyl-4-N-(4-methoxyphenyl)-4-N-methyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 137661858
1-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzimidazol-5-amine
CID 1124052
1-(4-Methoxy-phenyl)-1H-benzoimidazol-5-ylamine
CID 783122

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine (CID 15993128) is 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine is COc1ccc(-n2cnc3cc(NCc4cccc5ccccc45)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine?
The InChIKey is UGDIFWIKOWHDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-29-22-12-10-21(11-13-22)28-17-27-24-15-20(9-14-25(24)28)26-16-19-7-4-6-18-5-2-3-8-23(18)19/h2-15,17,26H,16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine?
1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine has a molecular weight of 379.46 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 15993128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).