4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine

C15H23N3 — CID 82144558

IUPAC4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine
SMILESCC(C)(C)c1nc2ccccc2n1CCCCN
InChIInChI=1S/C15H23N3/c1-15(2,3)14-17-12-8-4-5-9-13(12)18(14)11-7-6-10-16/h4-5,8-9H,6-7,10-11,16H2,1-3H3
InChIKeySXMMKTWQGZWHNG-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.07
Rot. Bonds4

About 4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine

4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine (PubChem CID 82144558) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine
PubChem CID82144558
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine
SMILESCC(C)(C)c1nc2ccccc2n1CCCCN
InChIInChI=1S/C15H23N3/c1-15(2,3)14-17-12-8-4-5-9-13(12)18(14)11-7-6-10-16/h4-5,8-9H,6-7,10-11,16H2,1-3H3
InChIKeySXMMKTWQGZWHNG-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.07
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

2-tert-butyl-1-pentylbenzimidazole
CID 17000368
4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine
CID 82144688
5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
CID 111469972
2-tert-butyl-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 17000411
2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 17000405
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18811357
2-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79798291
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
2-[2-(2-aminopentan-2-yl)benzimidazol-1-yl]ethanol
CID 54880285
3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid
CID 62677103
4-[2-(phenoxymethyl)benzimidazol-1-yl]butan-1-amine
CID 82144770

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine?
The IUPAC name of 4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine (CID 82144558) is 4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine.
What is the SMILES notation for 4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine?
The canonical SMILES for 4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine is CC(C)(C)c1nc2ccccc2n1CCCCN.
What is the InChIKey of 4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine?
The InChIKey is SXMMKTWQGZWHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(2,3)14-17-12-8-4-5-9-13(12)18(14)11-7-6-10-16/h4-5,8-9H,6-7,10-11,16H2,1-3H3.
What are the key properties of 4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine?
4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine is sourced from PubChem (CID 82144558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).