N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine

C14H20BrN3 — CID 63023819

IUPACN-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nc2cc(Br)ccc2n1CC
InChIInChI=1S/C14H20BrN3/c1-4-8-16-10(3)14-17-12-9-11(15)6-7-13(12)18(14)5-2/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyMOHHPDCGVPFQLC-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.88
Rot. Bonds5

About N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine

N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 63023819) has the molecular formula C14H20BrN3 and a molecular weight of 310.24 g/mol. Its IUPAC name is N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine
PubChem CID63023819
Molecular FormulaC14H20BrN3
Molecular Weight310.24 g/mol
Exact Mass309.08
IUPAC NameN-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1nc2cc(Br)ccc2n1CC
InChIInChI=1S/C14H20BrN3/c1-4-8-16-10(3)14-17-12-9-11(15)6-7-13(12)18(14)5-2/h6-7,9-10,16H,4-5,8H2,1-3H3
InChIKeyMOHHPDCGVPFQLC-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine (CID 63023819) is N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine is CCCNC(C)c1nc2cc(Br)ccc2n1CC.
What is the InChIKey of N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is MOHHPDCGVPFQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3/c1-4-8-16-10(3)14-17-12-9-11(15)6-7-13(12)18(14)5-2/h6-7,9-10,16H,4-5,8H2,1-3H3.
What are the key properties of N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 310.24 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63023819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).