N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide

C14H18N4O — CID 119111097

IUPACN-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide
SMILESCCNC(=O)c1ccc(CNCc2ncc[nH]2)cc1
InChIInChI=1S/C14H18N4O/c1-2-16-14(19)12-5-3-11(4-6-12)9-15-10-13-17-7-8-18-13/h3-8,15H,2,9-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyFRLKIBWMCMUUPB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.45
Rot. Bonds6

About N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide

N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide (PubChem CID 119111097) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide
PubChem CID119111097
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide
SMILESCCNC(=O)c1ccc(CNCc2ncc[nH]2)cc1
InChIInChI=1S/C14H18N4O/c1-2-16-14(19)12-5-3-11(4-6-12)9-15-10-13-17-7-8-18-13/h3-8,15H,2,9-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyFRLKIBWMCMUUPB-UHFFFAOYSA-N
XLogP1.45
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]benzamide
CID 10435884
N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide
CID 54976609
N-(1H-imidazol-2-ylmethyl)-1-(4-nitrophenyl)methanamine
CID 23079310
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64529772
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
6-amino-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide
CID 64525972
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 64523208
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396
4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-3-nitrobenzamide
CID 64525971
1-(3-bromo-4-methylphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 105401529
1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 54976408

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide?
The IUPAC name of N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide (CID 119111097) is N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide.
What is the SMILES notation for N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide?
The canonical SMILES for N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide is CCNC(=O)c1ccc(CNCc2ncc[nH]2)cc1.
What is the InChIKey of N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide?
The InChIKey is FRLKIBWMCMUUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-16-14(19)12-5-3-11(4-6-12)9-15-10-13-17-7-8-18-13/h3-8,15H,2,9-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide?
N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(1H-imidazol-2-ylmethylamino)methyl]benzamide is sourced from PubChem (CID 119111097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).