N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide

C14H18N4O — CID 118907265

IUPACN-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide
SMILESCc1cc(CN)ccc1CNC(=O)c1cn(C)cn1
InChIInChI=1S/C14H18N4O/c1-10-5-11(6-15)3-4-12(10)7-16-14(19)13-8-18(2)9-17-13/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,19)
InChIKeyDVHUZWAYIYZBHJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.12
Rot. Bonds4

About N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide

N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide (PubChem CID 118907265) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide
PubChem CID118907265
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide
SMILESCc1cc(CN)ccc1CNC(=O)c1cn(C)cn1
InChIInChI=1S/C14H18N4O/c1-10-5-11(6-15)3-4-12(10)7-16-14(19)13-8-18(2)9-17-13/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,19)
InChIKeyDVHUZWAYIYZBHJ-UHFFFAOYSA-N
XLogP1.12
TPSA72.94 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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-carbamothioyl-2-fluorophenyl)methyl]-1-methylimidazole-4-carboxamide
CID 107972232
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801076
N-[(E)-4-aminobut-2-enyl]-1-methylimidazole-4-carboxamide
CID 107973594
N-[(3-carbamothioylphenyl)methyl]-1-methylimidazole-4-carboxamide
CID 107972207
N-[[3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1-methylimidazole-4-carboxamide
CID 107974233
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 63359488
N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
CID 103859682
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 107971078
N-[(5-tert-butylthiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
CID 166250263
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide
CID 107498921
N-(cyclopropylmethyl)-1-methylimidazole-4-carboxamide
CID 130626722
N-(1-aminopropan-2-yl)-1-methylimidazole-4-carboxamide
CID 107973269

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide (CID 118907265) is N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide is Cc1cc(CN)ccc1CNC(=O)c1cn(C)cn1.
What is the InChIKey of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide?
The InChIKey is DVHUZWAYIYZBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-5-11(6-15)3-4-12(10)7-16-14(19)13-8-18(2)9-17-13/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,19).
What are the key properties of N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide?
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 118907265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).