N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide

C13H16N4O — CID 54976609

IUPACN-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide
SMILESCCNC(=O)c1cccc(NCc2ncc[nH]2)c1
InChIInChI=1S/C13H16N4O/c1-2-14-13(18)10-4-3-5-11(8-10)17-9-12-15-6-7-16-12/h3-8,17H,2,9H2,1H3,(H,14,18)(H,15,16)
InChIKeyHBOUOMNTQSQYRI-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.77
Rot. Bonds5

About N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide

N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide (PubChem CID 54976609) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide
PubChem CID54976609
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide
SMILESCCNC(=O)c1cccc(NCc2ncc[nH]2)c1
InChIInChI=1S/C13H16N4O/c1-2-14-13(18)10-4-3-5-11(8-10)17-9-12-15-6-7-16-12/h3-8,17H,2,9H2,1H3,(H,14,18)(H,15,16)
InChIKeyHBOUOMNTQSQYRI-UHFFFAOYSA-N
XLogP1.77
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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[3-(1H-imidazol-2-ylmethylamino)phenyl]urea
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N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62758960
tert-butyl N-[3-(1H-imidazol-2-ylmethylamino)phenyl]carbamate
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3-(N'-hydroxycarbamimidoyl)-N-(1H-imidazol-2-ylmethyl)benzamide
CID 77046331
N-ethyl-3-(prop-2-ynylamino)benzamide
CID 60681699
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
3-acetamido-N-ethylbenzamide
CID 17230670
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 64523208
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CID 54976663

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide?
The IUPAC name of N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide (CID 54976609) is N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide.
What is the SMILES notation for N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide?
The canonical SMILES for N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide is CCNC(=O)c1cccc(NCc2ncc[nH]2)c1.
What is the InChIKey of N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide?
The InChIKey is HBOUOMNTQSQYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-14-13(18)10-4-3-5-11(8-10)17-9-12-15-6-7-16-12/h3-8,17H,2,9H2,1H3,(H,14,18)(H,15,16).
What are the key properties of N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide?
N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide is sourced from PubChem (CID 54976609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).