2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine

C19H23N3 — CID 82067840

IUPAC2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine
SMILESCCCCCn1c(-c2ccc(C)cc2)nc2c(N)cccc21
InChIInChI=1S/C19H23N3/c1-3-4-5-13-22-17-8-6-7-16(20)18(17)21-19(22)15-11-9-14(2)10-12-15/h6-12H,3-5,13,20H2,1-2H3
InChIKeyZZJQNCRDQLAMTI-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.78
Rot. Bonds5

About 2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine

2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine (PubChem CID 82067840) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine
PubChem CID82067840
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine
SMILESCCCCCn1c(-c2ccc(C)cc2)nc2c(N)cccc21
InChIInChI=1S/C19H23N3/c1-3-4-5-13-22-17-8-6-7-16(20)18(17)21-19(22)15-11-9-14(2)10-12-15/h6-12H,3-5,13,20H2,1-2H3
InChIKeyZZJQNCRDQLAMTI-UHFFFAOYSA-N
XLogP4.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine
CID 82068115
3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82068123
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726
2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine
CID 82067689
2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 82067826
2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine
CID 82067963
2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine
CID 82067153
1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
CID 82067688
3-(4-amino-2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82068172
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
2-(4-bromophenyl)-1-pentylbenzimidazole
CID 17001128
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine?
The IUPAC name of 2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine (CID 82067840) is 2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine.
What is the SMILES notation for 2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine?
The canonical SMILES for 2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine is CCCCCn1c(-c2ccc(C)cc2)nc2c(N)cccc21.
What is the InChIKey of 2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine?
The InChIKey is ZZJQNCRDQLAMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-3-4-5-13-22-17-8-6-7-16(20)18(17)21-19(22)15-11-9-14(2)10-12-15/h6-12H,3-5,13,20H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine?
2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine has a molecular weight of 293.41 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine is sourced from PubChem (CID 82067840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).