N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide

C14H18N4O — CID 55109216

IUPACN-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2cnc[nH]2)c1C
InChIInChI=1S/C14H18N4O/c1-3-14(19)18-13-6-4-5-12(10(13)2)16-8-11-7-15-9-17-11/h4-7,9,16H,3,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyWWWXGJKSHAXHJJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.68
Rot. Bonds5

About N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide

N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide (PubChem CID 55109216) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide
PubChem CID55109216
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCc2cnc[nH]2)c1C
InChIInChI=1S/C14H18N4O/c1-3-14(19)18-13-6-4-5-12(10(13)2)16-8-11-7-15-9-17-11/h4-7,9,16H,3,8H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyWWWXGJKSHAXHJJ-UHFFFAOYSA-N
XLogP2.68
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
CID 13178310
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
CID 62762313
2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 13178302
N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide
CID 43426599
2-(1H-imidazol-5-yl)-N-(2-methylphenyl)acetamide
CID 110684137
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209
N-(2-tert-butylphenyl)-2-(1H-imidazol-5-yl)acetamide
CID 110684157
N-[2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115949978
3-chloro-2,2-dimethyl-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 63680386
N-[3-(acetylcarbamothioylamino)-2-methylphenyl]propanamide
CID 46760838
ethyl 3-(1H-imidazol-5-ylmethylamino)benzoate
CID 55108831

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide?
The IUPAC name of N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide (CID 55109216) is N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide is CCC(=O)Nc1cccc(NCc2cnc[nH]2)c1C.
What is the InChIKey of N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide?
The InChIKey is WWWXGJKSHAXHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-14(19)18-13-6-4-5-12(10(13)2)16-8-11-7-15-9-17-11/h4-7,9,16H,3,8H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide?
N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-5-ylmethylamino)-2-methylphenyl]propanamide is sourced from PubChem (CID 55109216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).