3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide

C20H18N6O — CID 56868549

IUPAC3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide
SMILESNC(=O)CCn1cnc(-c2ccccc2)c1-c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H18N6O/c21-18(27)10-11-25-14-23-19(15-4-2-1-3-5-15)20(25)16-6-8-17(9-7-16)26-13-22-12-24-26/h1-9,12-14H,10-11H2,(H2,21,27)
InChIKeyOJTZZJNVMOMRTK-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.67
Rot. Bonds6

About 3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide

3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide (PubChem CID 56868549) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide
PubChem CID56868549
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide
SMILESNC(=O)CCn1cnc(-c2ccccc2)c1-c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H18N6O/c21-18(27)10-11-25-14-23-19(15-4-2-1-3-5-15)20(25)16-6-8-17(9-7-16)26-13-22-12-24-26/h1-9,12-14H,10-11H2,(H2,21,27)
InChIKeyOJTZZJNVMOMRTK-UHFFFAOYSA-N
XLogP2.67
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[3-(2-hydroxyethyl)-5-phenylimidazol-4-yl]indol-1-yl]propanamide
CID 50972954
2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide
CID 50984888
N-cyclopropyl-3-(4,5-diphenylimidazol-1-yl)propanamide
CID 110436229
4,5-diphenyl-1-propylimidazole
CID 14950648
7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one
CID 10179650
3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]propanoic acid
CID 67015142
2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)acetic acid
CID 70723096
4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol
CID 50978507
3-[5-(3-methyl-1,2-oxazol-5-yl)-4-phenylimidazol-1-yl]propanoic acid
CID 70783823
methyl 4-[5-(4-cyanophenyl)-4-phenylimidazol-1-yl]butanoate
CID 50952859
3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide
CID 69123933
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 55462322

Frequently Asked Questions

What is the IUPAC name of 3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide?
The IUPAC name of 3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide (CID 56868549) is 3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide.
What is the SMILES notation for 3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide?
The canonical SMILES for 3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide is NC(=O)CCn1cnc(-c2ccccc2)c1-c1ccc(-n2cncn2)cc1.
What is the InChIKey of 3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide?
The InChIKey is OJTZZJNVMOMRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-18(27)10-11-25-14-23-19(15-4-2-1-3-5-15)20(25)16-6-8-17(9-7-16)26-13-22-12-24-26/h1-9,12-14H,10-11H2,(H2,21,27).
What are the key properties of 3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide?
3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide has a molecular weight of 358.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-phenyl-5-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-1-yl]propanamide is sourced from PubChem (CID 56868549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).