3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine

C17H27N3 — CID 82333924

IUPAC3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCCCCn1c(CCCN)nc2cc(C(C)C)ccc21
InChIInChI=1S/C17H27N3/c1-4-5-11-20-16-9-8-14(13(2)3)12-15(16)19-17(20)7-6-10-18/h8-9,12-13H,4-7,10-11,18H2,1-3H3
InChIKeyCEVWPJXAQMEPOQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.85
Rot. Bonds7

About 3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine

3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine (PubChem CID 82333924) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
PubChem CID82333924
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCCCCn1c(CCCN)nc2cc(C(C)C)ccc21
InChIInChI=1S/C17H27N3/c1-4-5-11-20-16-9-8-14(13(2)3)12-15(16)19-17(20)7-6-10-18/h8-9,12-13H,4-7,10-11,18H2,1-3H3
InChIKeyCEVWPJXAQMEPOQ-UHFFFAOYSA-N
XLogP3.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-pentyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334105
3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333928
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
2-(chloromethyl)-5-propan-2-yl-1-propylbenzimidazole
CID 82334173
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333974
N-[3-[2-(3-aminopropyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
CID 46309733
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82146076
[1-(3-methylbutyl)-5-propan-2-ylbenzimidazol-2-yl]methanol
CID 82334160
2-(5-ethoxy-1-hexylbenzimidazol-2-yl)ethanamine
CID 82334679

Frequently Asked Questions

What is the IUPAC name of 3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine (CID 82333924) is 3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine is CCCCn1c(CCCN)nc2cc(C(C)C)ccc21.
What is the InChIKey of 3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is CEVWPJXAQMEPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-5-11-20-16-9-8-14(13(2)3)12-15(16)19-17(20)7-6-10-18/h8-9,12-13H,4-7,10-11,18H2,1-3H3.
What are the key properties of 3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 82333924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).