3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide

C17H20BrN3O — CID 123417776

IUPAC3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide
SMILESCCNC(=O)C1CCC(n2cncc2-c2ccc(Br)cc2)C1
InChIInChI=1S/C17H20BrN3O/c1-2-20-17(22)13-5-8-15(9-13)21-11-19-10-16(21)12-3-6-14(18)7-4-12/h3-4,6-7,10-11,13,15H,2,5,8-9H2,1H3,(H,20,22)
InChIKeyNZPFOEWPYBABRL-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.79
Rot. Bonds4

About 3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide

3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide (PubChem CID 123417776) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide
PubChem CID123417776
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide
SMILESCCNC(=O)C1CCC(n2cncc2-c2ccc(Br)cc2)C1
InChIInChI=1S/C17H20BrN3O/c1-2-20-17(22)13-5-8-15(9-13)21-11-19-10-16(21)12-3-6-14(18)7-4-12/h3-4,6-7,10-11,13,15H,2,5,8-9H2,1H3,(H,20,22)
InChIKeyNZPFOEWPYBABRL-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide?
The IUPAC name of 3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide (CID 123417776) is 3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide?
The canonical SMILES for 3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide is CCNC(=O)C1CCC(n2cncc2-c2ccc(Br)cc2)C1.
What is the InChIKey of 3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide?
The InChIKey is NZPFOEWPYBABRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-2-20-17(22)13-5-8-15(9-13)21-11-19-10-16(21)12-3-6-14(18)7-4-12/h3-4,6-7,10-11,13,15H,2,5,8-9H2,1H3,(H,20,22).
What are the key properties of 3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide?
3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromophenyl)imidazol-1-yl]-N-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 123417776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).