3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine

C15H23N3 — CID 62447049

IUPAC3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine
SMILESCC(CCNC(C)(C)C)n1cnc2ccccc21
InChIInChI=1S/C15H23N3/c1-12(9-10-17-15(2,3)4)18-11-16-13-7-5-6-8-14(13)18/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyHBZBZOLDWWCIMN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.38
Rot. Bonds4

About 3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine

3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine (PubChem CID 62447049) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine
PubChem CID62447049
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine
SMILESCC(CCNC(C)(C)C)n1cnc2ccccc21
InChIInChI=1S/C15H23N3/c1-12(9-10-17-15(2,3)4)18-11-16-13-7-5-6-8-14(13)18/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyHBZBZOLDWWCIMN-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
4-(benzimidazol-1-yl)pentan-2-ol
CID 64720389
4-(benzimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64703858
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
methyl 4-(benzimidazol-1-yl)-2-(ethylamino)-2-methylpentanoate
CID 64705069
methyl 3-(benzimidazol-1-yl)butanoate
CID 43536389
2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine
CID 62564183
3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine
CID 79409526
1-(benzimidazol-1-yl)propane-1,2-diol
CID 22018573
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]-2-methylpropan-2-amine
CID 55073175
(2R,3S)-2-(benzimidazol-1-yl)-3-methylhex-5-en-3-ol
CID 178185665
2-(benzimidazol-1-yl)pentan-3-amine
CID 16785487

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine?
The IUPAC name of 3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine (CID 62447049) is 3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine is CC(CCNC(C)(C)C)n1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine?
The InChIKey is HBZBZOLDWWCIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(9-10-17-15(2,3)4)18-11-16-13-7-5-6-8-14(13)18/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of 3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine?
3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine is sourced from PubChem (CID 62447049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).