N-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine

C25H27N3O — CID 66794015

IUPACN-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
SMILESCCCCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27N3O/c1-3-4-5-19-6-8-20(9-7-19)17-26-21-10-15-25-24(16-21)27-18-28(25)22-11-13-23(29-2)14-12-22/h6-16,18,26H,3-5,17H2,1-2H3
InChIKeyDRJQZFGKNKCQHG-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.99
Rot. Bonds8

About N-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine

N-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine (PubChem CID 66794015) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
PubChem CID66794015
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC NameN-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine
SMILESCCCCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H27N3O/c1-3-4-5-19-6-8-20(9-7-19)17-26-21-10-15-25-24(16-21)27-18-28(25)22-11-13-23(29-2)14-12-22/h6-16,18,26H,3-5,17H2,1-2H3
InChIKeyDRJQZFGKNKCQHG-UHFFFAOYSA-N
XLogP5.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.99
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

Astemizole
CID 2247
Metonitazene
CID 53316366
Metodesnitazene
CID 26412
2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-amine
CID 9883372
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
Pyrimido(1,2-a)benzimidazole, 1,4-dihydro-4-(4-methoxyphenyl)-2-methyl-
CID 3074967
N-Desethylisotonitazene
CID 162623899
4-(5-methoxy-1H-1,3-benzodiazol-1-yl)aniline
CID 5328512
5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole
CID 5329338
2,4-Disubstituted Pyrimidine 2g
CID 5329420
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The IUPAC name of N-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine (CID 66794015) is N-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine.
What is the SMILES notation for N-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The canonical SMILES for N-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine is CCCCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
The InChIKey is DRJQZFGKNKCQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-3-4-5-19-6-8-20(9-7-19)17-26-21-10-15-25-24(16-21)27-18-28(25)22-11-13-23(29-2)14-12-22/h6-16,18,26H,3-5,17H2,1-2H3.
What are the key properties of N-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine?
N-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine has a molecular weight of 385.51 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)methyl]-1-(4-methoxyphenyl)benzimidazol-5-amine is sourced from PubChem (CID 66794015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).