N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide

C17H20N6O — CID 131908904

IUPACN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCc1nccn1Cc1ccccc1NC(=O)CCCn1cncn1
InChIInChI=1S/C17H20N6O/c1-14-19-8-10-22(14)11-15-5-2-3-6-16(15)21-17(24)7-4-9-23-13-18-12-20-23/h2-3,5-6,8,10,12-13H,4,7,9,11H2,1H3,(H,21,24)
InChIKeyDDRJDPWEMPRAMI-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.25
Rot. Bonds7

About N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide

N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 131908904) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID131908904
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCc1nccn1Cc1ccccc1NC(=O)CCCn1cncn1
InChIInChI=1S/C17H20N6O/c1-14-19-8-10-22(14)11-15-5-2-3-6-16(15)21-17(24)7-4-9-23-13-18-12-20-23/h2-3,5-6,8,10,12-13H,4,7,9,11H2,1H3,(H,21,24)
InChIKeyDDRJDPWEMPRAMI-UHFFFAOYSA-N
XLogP2.25
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
CID 131899424
2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 154912858
3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 87031833
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70786945
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822907
N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47137005
(2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide
CID 131908048
N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide
CID 56783099
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide
CID 56909174
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 55908017
N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
CID 16784484

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 131908904) is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide is Cc1nccn1Cc1ccccc1NC(=O)CCCn1cncn1.
What is the InChIKey of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is DDRJDPWEMPRAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-14-19-8-10-22(14)11-15-5-2-3-6-16(15)21-17(24)7-4-9-23-13-18-12-20-23/h2-3,5-6,8,10,12-13H,4,7,9,11H2,1H3,(H,21,24).
What are the key properties of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 324.39 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 131908904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).