4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide

C12H14N4O — CID 62999360

IUPAC4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N4O/c13-12(17)10-3-1-9(2-4-10)5-14-6-11-7-15-8-16-11/h1-4,7-8,14H,5-6H2,(H2,13,17)(H,15,16)
InChIKeyFVTVNNNWAVEWIG-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.80
Rot. Bonds5

About 4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide

4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide (PubChem CID 62999360) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound Name4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide
PubChem CID62999360
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide
SMILESNC(=O)c1ccc(CNCc2cnc[nH]2)cc1
InChIInChI=1S/C12H14N4O/c13-12(17)10-3-1-9(2-4-10)5-14-6-11-7-15-8-16-11/h1-4,7-8,14H,5-6H2,(H2,13,17)(H,15,16)
InChIKeyFVTVNNNWAVEWIG-UHFFFAOYSA-N
XLogP0.80
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-1-(4-nitrophenyl)methanamine
CID 55109637
1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 79984096
3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]benzamide
CID 65232486
N-(1H-imidazol-5-ylmethyl)-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 63001032
N-(1H-imidazol-5-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
CID 66407683
2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide
CID 64988514
1-(6-chloro-3-pyridinyl)-N-(1H-imidazol-5-ylmethyl)methanamine;hydrochloride
CID 115607264
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]benzamide
CID 65231463
4-[[(4-propan-2-ylphenyl)methylamino]methyl]benzamide
CID 60658050
2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide
CID 106235178
1-(3-chloro-4-methylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 106816903
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide?
The IUPAC name of 4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide (CID 62999360) is 4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide.
What is the SMILES notation for 4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide?
The canonical SMILES for 4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide is NC(=O)c1ccc(CNCc2cnc[nH]2)cc1.
What is the InChIKey of 4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide?
The InChIKey is FVTVNNNWAVEWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-12(17)10-3-1-9(2-4-10)5-14-6-11-7-15-8-16-11/h1-4,7-8,14H,5-6H2,(H2,13,17)(H,15,16).
What are the key properties of 4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide?
4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide has a molecular weight of 230.27 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 62999360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).