3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine

C14H20BrN3 — CID 80539744

IUPAC3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine
SMILESCCCn1c(C(C)CCN)nc2cc(Br)ccc21
InChIInChI=1S/C14H20BrN3/c1-3-8-18-13-5-4-11(15)9-12(13)17-14(18)10(2)6-7-16/h4-5,9-10H,3,6-8,16H2,1-2H3
InChIKeyASWYMUCLQJOKRF-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.66
Rot. Bonds5

About 3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine

3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine (PubChem CID 80539744) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is 3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine
PubChem CID80539744
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC Name3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine
SMILESCCCn1c(C(C)CCN)nc2cc(Br)ccc21
InChIInChI=1S/C14H20BrN3/c1-3-8-18-13-5-4-11(15)9-12(13)17-14(18)10(2)6-7-16/h4-5,9-10H,3,6-8,16H2,1-2H3
InChIKeyASWYMUCLQJOKRF-UHFFFAOYSA-N
XLogP3.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 80539721
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835397
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
CID 84808266
1-(5-bromo-1-ethylbenzimidazol-2-yl)ethanol
CID 63023634
N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 63023819
[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine
CID 60785381
(2-heptan-4-yl-1-propylbenzimidazol-5-yl)methanamine
CID 82990601
N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
CID 60835708
2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310677
2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylethanamine
CID 62640923

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of 3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine (CID 80539744) is 3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine is CCCn1c(C(C)CCN)nc2cc(Br)ccc21.
What is the InChIKey of 3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is ASWYMUCLQJOKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c1-3-8-18-13-5-4-11(15)9-12(13)17-14(18)10(2)6-7-16/h4-5,9-10H,3,6-8,16H2,1-2H3.
What are the key properties of 3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine?
3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 310.24 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-propylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 80539744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).