1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine

C18H21N3 — CID 21484264

IUPAC1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine
SMILESCc1ccc(CCCCn2c(N)nc3ccccc32)cc1
InChIInChI=1S/C18H21N3/c1-14-9-11-15(12-10-14)6-4-5-13-21-17-8-3-2-7-16(17)20-18(21)19/h2-3,7-12H,4-6,13H2,1H3,(H2,19,20)
InChIKeyVYIOYIZBEYDHND-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.95
Rot. Bonds5

About 1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine

1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine (PubChem CID 21484264) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine
PubChem CID21484264
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine
SMILESCc1ccc(CCCCn2c(N)nc3ccccc32)cc1
InChIInChI=1S/C18H21N3/c1-14-9-11-15(12-10-14)6-4-5-13-21-17-8-3-2-7-16(17)20-18(21)19/h2-3,7-12H,4-6,13H2,1H3,(H2,19,20)
InChIKeyVYIOYIZBEYDHND-UHFFFAOYSA-N
XLogP3.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-5-methylbenzimidazol-2-amine
CID 43661501
1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole
CID 134123820
1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine
CID 21484153
6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520922
2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol
CID 155774431
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726
4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967208
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
2-[2-[2-(4-methylphenyl)ethyl]benzimidazol-1-yl]ethanethioamide
CID 39148199
5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 62378956

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine?
The IUPAC name of 1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine (CID 21484264) is 1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine.
What is the SMILES notation for 1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine?
The canonical SMILES for 1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine is Cc1ccc(CCCCn2c(N)nc3ccccc32)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine?
The InChIKey is VYIOYIZBEYDHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-14-9-11-15(12-10-14)6-4-5-13-21-17-8-3-2-7-16(17)20-18(21)19/h2-3,7-12H,4-6,13H2,1H3,(H2,19,20).
What are the key properties of 1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine?
1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine has a molecular weight of 279.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)butyl]benzimidazol-2-amine is sourced from PubChem (CID 21484264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).