N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

C16H17FN6O — CID 42930573

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCn1ccnc1C(NC(=O)CCn1cncn1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN6O/c1-22-9-7-19-16(22)15(12-2-4-13(17)5-3-12)21-14(24)6-8-23-11-18-10-20-23/h2-5,7,9-11,15H,6,8H2,1H3,(H,21,24)
InChIKeyDOIQAQDDPRVGHY-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.45
Rot. Bonds6

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42930573) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID42930573
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCn1ccnc1C(NC(=O)CCn1cncn1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN6O/c1-22-9-7-19-16(22)15(12-2-4-13(17)5-3-12)21-14(24)6-8-23-11-18-10-20-23/h2-5,7,9-11,15H,6,8H2,1H3,(H,21,24)
InChIKeyDOIQAQDDPRVGHY-UHFFFAOYSA-N
XLogP1.45
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 55925130
3-(3,5-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 42949172
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 43077995
3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25339891
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
2-(4-tert-butylphenyl)sulfanyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55500150
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51260009

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 42930573) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is Cn1ccnc1C(NC(=O)CCn1cncn1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DOIQAQDDPRVGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/c1-22-9-7-19-16(22)15(12-2-4-13(17)5-3-12)21-14(24)6-8-23-11-18-10-20-23/h2-5,7,9-11,15H,6,8H2,1H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 328.35 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42930573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).