2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide

C13H14N4O2 — CID 175573455

IUPAC2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1CCc1cnc[nH]1
InChIInChI=1S/C13H14N4O2/c14-12(18)10-2-1-3-11(13(15)19)9(10)5-4-8-6-16-7-17-8/h1-3,6-7H,4-5H2,(H2,14,18)(H2,15,19)(H,16,17)
InChIKeyZWKBODQJTYQQDN-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.39
Rot. Bonds5

About 2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide

2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 175573455) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide
PubChem CID175573455
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1CCc1cnc[nH]1
InChIInChI=1S/C13H14N4O2/c14-12(18)10-2-1-3-11(13(15)19)9(10)5-4-8-6-16-7-17-8/h1-3,6-7H,4-5H2,(H2,14,18)(H2,15,19)(H,16,17)
InChIKeyZWKBODQJTYQQDN-UHFFFAOYSA-N
XLogP0.39
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)benzene-1,3-dicarboxamide
CID 70473851
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]benzamide
CID 65232486
1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea
CID 45120901
2-(1H-imidazol-5-yl)acetamide;hydrochloride
CID 67500696
2-[4-[2-(1H-imidazol-5-yl)ethyl]phenyl]acetohydrazide
CID 44539079
2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875539
5-[3-(2,6-dimethylphenyl)propyl]-1H-imidazole
CID 10420802
3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide
CID 118011725
3-[2-(1H-imidazol-5-yl)ethyl]benzenecarboximidamide
CID 23368243
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
2-(1H-imidazol-5-yl)ethanamine;phenol
CID 67627701

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide (CID 175573455) is 2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(N)=O)c1CCc1cnc[nH]1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is ZWKBODQJTYQQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-12(18)10-2-1-3-11(13(15)19)9(10)5-4-8-6-16-7-17-8/h1-3,6-7H,4-5H2,(H2,14,18)(H2,15,19)(H,16,17).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide?
2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 175573455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).