1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine

C25H27N3 — CID 66793952

IUPAC1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
SMILESCCc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
InChIInChI=1S/C25H27N3/c1-4-19-7-12-23(13-8-19)28-17-27-24-15-22(11-14-25(24)28)26-16-20-5-9-21(10-6-20)18(2)3/h5-15,17-18,26H,4,16H2,1-3H3
InChIKeyVLFJKCIARIXLKD-UHFFFAOYSA-N
MW369.51 g/mol
LogP6.32
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine

1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine (PubChem CID 66793952) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
PubChem CID66793952
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC Name1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
SMILESCCc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
InChIInChI=1S/C25H27N3/c1-4-19-7-12-23(13-8-19)28-17-27-24-15-22(11-14-25(24)28)26-16-20-5-9-21(10-6-20)18(2)3/h5-15,17-18,26H,4,16H2,1-3H3
InChIKeyVLFJKCIARIXLKD-UHFFFAOYSA-N
XLogP6.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 66794060
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine;hydrochloride
CID 127020969
5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole
CID 151682330
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
CID 2881374
N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine
CID 3562537
ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole
CID 143307448
1-(4-methoxyphenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzimidazol-5-amine
CID 66794145
N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine
CID 115212382
1-(4-propan-2-ylphenyl)benzimidazole-5-carboxylate
CID 4525946
2-[2-methoxy-5-[[(1-phenylbenzimidazol-5-yl)amino]methyl]phenoxy]ethanol
CID 166631175
1-ethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 866291
N-[(4-methoxyphenyl)methyl]-1-(4-phosphanylcyclohexa-1,5-dien-1-yl)benzimidazol-5-amine
CID 71165539

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine (CID 66793952) is 1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine is CCc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine?
The InChIKey is VLFJKCIARIXLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3/c1-4-19-7-12-23(13-8-19)28-17-27-24-15-22(11-14-25(24)28)26-16-20-5-9-21(10-6-20)18(2)3/h5-15,17-18,26H,4,16H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine?
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine has a molecular weight of 369.51 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 66793952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).