2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide

C16H20N4O — CID 62223411

IUPAC2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2ccnc2CNC2CC2)cc1
InChIInChI=1S/C16H20N4O/c1-12-2-4-14(5-3-12)19-16(21)11-20-9-8-17-15(20)10-18-13-6-7-13/h2-5,8-9,13,18H,6-7,10-11H2,1H3,(H,19,21)
InChIKeyBDUINRWFHSJWTN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.08
Rot. Bonds6

About 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide

2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 62223411) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID62223411
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2ccnc2CNC2CC2)cc1
InChIInChI=1S/C16H20N4O/c1-12-2-4-14(5-3-12)19-16(21)11-20-9-8-17-15(20)10-18-13-6-7-13/h2-5,8-9,13,18H,6-7,10-11H2,1H3,(H,19,21)
InChIKeyBDUINRWFHSJWTN-UHFFFAOYSA-N
XLogP2.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide
CID 62221110
N-benzyl-2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]acetamide
CID 62223579
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-pentan-2-ylacetamide
CID 55048665
2-[2-(ethylaminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 62223733
N-(4-bromophenyl)-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223377
N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide
CID 55098061
N-(4-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62221270
N-(4-propan-2-ylphenyl)-2-(2-propylimidazol-1-yl)acetamide
CID 71846694
2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
CID 62221393
2-[2-(aminomethyl)imidazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 55048330
2-[(4-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 28579743
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide (CID 62223411) is 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2ccnc2CNC2CC2)cc1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is BDUINRWFHSJWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-2-4-14(5-3-12)19-16(21)11-20-9-8-17-15(20)10-18-13-6-7-13/h2-5,8-9,13,18H,6-7,10-11H2,1H3,(H,19,21).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide?
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 62223411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).