N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide

C14H18N4O — CID 107973168

IUPACN-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cn(C)cn1
InChIInChI=1S/C14H18N4O/c1-3-15-8-11-6-4-5-7-12(11)17-14(19)13-9-18(2)10-16-13/h4-7,9-10,15H,3,8H2,1-2H3,(H,17,19)
InChIKeyQFHBVNUEBHEBFG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.78
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide

N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide (PubChem CID 107973168) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide
PubChem CID107973168
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide
SMILESCCNCc1ccccc1NC(=O)c1cn(C)cn1
InChIInChI=1S/C14H18N4O/c1-3-15-8-11-6-4-5-7-12(11)17-14(19)13-9-18(2)10-16-13/h4-7,9-10,15H,3,8H2,1-2H3,(H,17,19)
InChIKeyQFHBVNUEBHEBFG-UHFFFAOYSA-N
XLogP1.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-chloroethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975038
1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide
CID 107496371
N-[2-(1-bromoethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975155
methyl 2-[(1-methylimidazole-4-carbonyl)amino]benzoate
CID 103858088
5-cyano-N-[2-(ethylaminomethyl)phenyl]pyridine-2-carboxamide
CID 63723902
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43601475
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 63654524
N-[2-(ethylaminomethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103805568
N-[2-(ethylaminomethyl)phenyl]-3-methylpyridine-2-carboxamide
CID 62339323
N-[2-(ethylaminomethyl)phenyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156185
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide (CID 107973168) is N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide is CCNCc1ccccc1NC(=O)c1cn(C)cn1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide?
The InChIKey is QFHBVNUEBHEBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-15-8-11-6-4-5-7-12(11)17-14(19)13-9-18(2)10-16-13/h4-7,9-10,15H,3,8H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide?
N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 107973168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).