3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide

C14H18N4O — CID 103510743

IUPAC3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide
SMILESCNC(C)c1ccccc1NC(=O)c1cncn1C
InChIInChI=1S/C14H18N4O/c1-10(15-2)11-6-4-5-7-12(11)17-14(19)13-8-16-9-18(13)3/h4-10,15H,1-3H3,(H,17,19)
InChIKeyZVRYKCRABCKPJJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.95
Rot. Bonds4

About 3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide

3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide (PubChem CID 103510743) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide
PubChem CID103510743
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide
SMILESCNC(C)c1ccccc1NC(=O)c1cncn1C
InChIInChI=1S/C14H18N4O/c1-10(15-2)11-6-4-5-7-12(11)17-14(19)13-8-16-9-18(13)3/h4-10,15H,1-3H3,(H,17,19)
InChIKeyZVRYKCRABCKPJJ-UHFFFAOYSA-N
XLogP1.95
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-3-methylimidazole-4-carboxamide
CID 110863425
3-hydroxy-N-[2-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507958
3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507964
5-methyl-N-[2-[1-(methylamino)ethyl]phenyl]furan-3-carboxamide
CID 114819295
N-(3-iodo-2H-indazol-7-yl)-3-methylimidazole-4-carboxamide
CID 167795285
N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide
CID 110864315
N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide
CID 103512452
3-methoxy-N-[2-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507956
2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507938
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)imidazole-4-carboxamide
CID 103510823
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
4-bromo-3-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 114003854

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide (CID 103510743) is 3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide is CNC(C)c1ccccc1NC(=O)c1cncn1C.
What is the InChIKey of 3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide?
The InChIKey is ZVRYKCRABCKPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(15-2)11-6-4-5-7-12(11)17-14(19)13-8-16-9-18(13)3/h4-10,15H,1-3H3,(H,17,19).
What are the key properties of 3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide?
3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 103510743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).