2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide

C14H14N4O — CID 63235692

IUPAC2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CNC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H14N4O/c1-18-7-6-16-13(18)10-17-14(19)8-11-2-4-12(9-15)5-3-11/h2-7H,8,10H2,1H3,(H,17,19)
InChIKeyCOULAFWDFHWVHQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.15
Rot. Bonds4

About 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide

2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 63235692) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID63235692
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CNC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H14N4O/c1-18-7-6-16-13(18)10-17-14(19)8-11-2-4-12(9-15)5-3-11/h2-7H,8,10H2,1H3,(H,17,19)
InChIKeyCOULAFWDFHWVHQ-UHFFFAOYSA-N
XLogP1.15
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168275
2-(1-methylimidazol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110474600
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 110488866
4-(bromomethyl)-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 102851668
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-(4-cyanophenyl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methyl]acetamide
CID 154794496
2-[4-[(1-methylimidazol-2-yl)methylcarbamoylamino]phenyl]acetic acid
CID 63293690
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988102
2-(4-cyanophenyl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 103725457

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide (CID 63235692) is 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1CNC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is COULAFWDFHWVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18-7-6-16-13(18)10-17-14(19)8-11-2-4-12(9-15)5-3-11/h2-7H,8,10H2,1H3,(H,17,19).
What are the key properties of 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 254.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 63235692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).