5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide

C13H15N5O2 — CID 62355697

IUPAC5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide
SMILESCn1ccnc1CNc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C13H15N5O2/c1-18-3-2-16-11(18)7-17-10-5-8(12(14)19)4-9(6-10)13(15)20/h2-6,17H,7H2,1H3,(H2,14,19)(H2,15,20)
InChIKeyPWINFGLKGQTKDG-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.23
Rot. Bonds5

About 5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide

5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide (PubChem CID 62355697) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide
PubChem CID62355697
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide
SMILESCn1ccnc1CNc1cc(C(N)=O)cc(C(N)=O)c1
InChIInChI=1S/C13H15N5O2/c1-18-3-2-16-11(18)7-17-10-5-8(12(14)19)4-9(6-10)13(15)20/h2-6,17H,7H2,1H3,(H2,14,19)(H2,15,20)
InChIKeyPWINFGLKGQTKDG-UHFFFAOYSA-N
XLogP0.23
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate
CID 82535225
2-[3-[(1-methylimidazol-2-yl)methylamino]phenoxy]benzamide
CID 84586746
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
1-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]ethenol
CID 143391179
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 62357401
2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 61220570
4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 60690893
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
CID 114406596
N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
CID 63295796
4-[(1-methylimidazol-2-yl)methylamino]-1H-pyridazin-6-one
CID 114392212

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide?
The IUPAC name of 5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide (CID 62355697) is 5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide is Cn1ccnc1CNc1cc(C(N)=O)cc(C(N)=O)c1.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide?
The InChIKey is PWINFGLKGQTKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-18-3-2-16-11(18)7-17-10-5-8(12(14)19)4-9(6-10)13(15)20/h2-6,17H,7H2,1H3,(H2,14,19)(H2,15,20).
What are the key properties of 5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide?
5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 62355697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).