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

C22H21N3O — CID 2881374

IUPACN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
SMILESCOc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21N3O/c1-16-3-8-19(9-4-16)25-15-24-21-13-18(7-12-22(21)25)23-14-17-5-10-20(26-2)11-6-17/h3-13,15,23H,14H2,1-2H3
InChIKeyPTYAJMSVGMUCFR-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.95
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine (PubChem CID 2881374) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
PubChem CID2881374
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
SMILESCOc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H21N3O/c1-16-3-8-19(9-4-16)25-15-24-21-13-18(7-12-22(21)25)23-14-17-5-10-20(26-2)11-6-17/h3-13,15,23H,14H2,1-2H3
InChIKeyPTYAJMSVGMUCFR-UHFFFAOYSA-N
XLogP4.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.95
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;hydrochloride
CID 127020969
1-(4-methoxyphenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzimidazol-5-amine
CID 66794145
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide
CID 1097865
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 66793952
N-[(4-methoxyphenyl)methyl]-1-(4-phosphanylcyclohexa-1,5-dien-1-yl)benzimidazol-5-amine
CID 71165539
1-(4-tert-butylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 66794060
N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine
CID 3562537
2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol
CID 166631175
1-(4-methoxyphenyl)benzimidazol-5-amine
CID 783122
1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine
CID 59372972
N-[4-(5-methoxybenzimidazol-1-yl)phenyl]formamide
CID 86676154
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine
CID 2887907

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine (CID 2881374) is N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine is COc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine?
The InChIKey is PTYAJMSVGMUCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-16-3-8-19(9-4-16)25-15-24-21-13-18(7-12-22(21)25)23-14-17-5-10-20(26-2)11-6-17/h3-13,15,23H,14H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine?
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine has a molecular weight of 343.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine is sourced from PubChem (CID 2881374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).