2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide

C16H21N5O2 — CID 118789686

IUPAC2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C16H21N5O2/c1-21(2)15(22)9-12-5-3-4-6-14(12)20-16(23)18-8-7-13-10-17-11-19-13/h3-6,10-11H,7-9H2,1-2H3,(H,17,19)(H2,18,20,23)
InChIKeyVQHGUESWFAJVNH-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.40
Rot. Bonds6

About 2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide

2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide (PubChem CID 118789686) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
PubChem CID118789686
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccccc1NC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C16H21N5O2/c1-21(2)15(22)9-12-5-3-4-6-14(12)20-16(23)18-8-7-13-10-17-11-19-13/h3-6,10-11H,7-9H2,1-2H3,(H,17,19)(H2,18,20,23)
InChIKeyVQHGUESWFAJVNH-UHFFFAOYSA-N
XLogP1.40
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-6-methylbenzoic acid
CID 65231525
2-hydroxy-3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 104833760
N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
CID 60576974
2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
CID 60577078
1-(2,4-difluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 10825620
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
CID 139185524
1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 65231458
1-(3-fluorophenyl)-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231550
3-chloro-4-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 65231714
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-ynamide
CID 65231264
2-[2-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 166404031

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide (CID 118789686) is 2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccccc1NC(=O)NCCc1cnc[nH]1.
What is the InChIKey of 2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide?
The InChIKey is VQHGUESWFAJVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-21(2)15(22)9-12-5-3-4-6-14(12)20-16(23)18-8-7-13-10-17-11-19-13/h3-6,10-11H,7-9H2,1-2H3,(H,17,19)(H2,18,20,23).
What are the key properties of 2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide?
2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide has a molecular weight of 315.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 118789686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).