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

C19H22BrN3O — CID 123502442

IUPAC3-[5-(4-bromophenyl)imidazol-1-yl]-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide
SMILESCC1(NC(=O)C2CCC(n3cncc3-c3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C19H22BrN3O/c1-19(8-9-19)22-18(24)14-4-7-16(10-14)23-12-21-11-17(23)13-2-5-15(20)6-3-13/h2-3,5-6,11-12,14,16H,4,7-10H2,1H3,(H,22,24)
InChIKeyZVIRVGYDUOCIEU-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.32
Rot. Bonds4

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

3-[5-(4-bromophenyl)imidazol-1-yl]-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide (PubChem CID 123502442) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 3-[5-(4-bromophenyl)imidazol-1-yl]-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[5-(4-bromophenyl)imidazol-1-yl]-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide
PubChem CID123502442
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name3-[5-(4-bromophenyl)imidazol-1-yl]-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide
SMILESCC1(NC(=O)C2CCC(n3cncc3-c3ccc(Br)cc3)C2)CC1
InChIInChI=1S/C19H22BrN3O/c1-19(8-9-19)22-18(24)14-4-7-16(10-14)23-12-21-11-17(23)13-2-5-15(20)6-3-13/h2-3,5-6,11-12,14,16H,4,7-10H2,1H3,(H,22,24)
InChIKeyZVIRVGYDUOCIEU-UHFFFAOYSA-N
XLogP4.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.32
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-(1-methylcyclopropyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-[5-(4-bromophenyl)imidazol-1-yl]-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide (CID 123502442) is 3-[5-(4-bromophenyl)imidazol-1-yl]-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-[5-(4-bromophenyl)imidazol-1-yl]-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-[5-(4-bromophenyl)imidazol-1-yl]-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide is CC1(NC(=O)C2CCC(n3cncc3-c3ccc(Br)cc3)C2)CC1.
What is the InChIKey of 3-[5-(4-bromophenyl)imidazol-1-yl]-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide?
The InChIKey is ZVIRVGYDUOCIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-19(8-9-19)22-18(24)14-4-7-16(10-14)23-12-21-11-17(23)13-2-5-15(20)6-3-13/h2-3,5-6,11-12,14,16H,4,7-10H2,1H3,(H,22,24).
What are the key properties of 3-[5-(4-bromophenyl)imidazol-1-yl]-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide?
3-[5-(4-bromophenyl)imidazol-1-yl]-N-(1-methylcyclopropyl)cyclopentane-1-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 4.32, 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-(1-methylcyclopropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 123502442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).