2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide

C13H17N5O2 — CID 122379511

IUPAC2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide
SMILESCN1CC(c2ccccc2)N=C1NC(=O)NCC(N)=O
InChIInChI=1S/C13H17N5O2/c1-18-8-10(9-5-3-2-4-6-9)16-12(18)17-13(20)15-7-11(14)19/h2-6,10H,7-8H2,1H3,(H2,14,19)(H2,15,16,17,20)
InChIKeyVZQKQBJREPPSPB-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.19
Rot. Bonds3

About 2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide

2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide (PubChem CID 122379511) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide.

Molecular Properties

Compound Name2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide
PubChem CID122379511
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide
SMILESCN1CC(c2ccccc2)N=C1NC(=O)NCC(N)=O
InChIInChI=1S/C13H17N5O2/c1-18-8-10(9-5-3-2-4-6-9)16-12(18)17-13(20)15-7-11(14)19/h2-6,10H,7-8H2,1H3,(H2,14,19)(H2,15,16,17,20)
InChIKeyVZQKQBJREPPSPB-UHFFFAOYSA-N
XLogP-0.19
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide?
The IUPAC name of 2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide (CID 122379511) is 2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide.
What is the SMILES notation for 2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide?
The canonical SMILES for 2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide is CN1CC(c2ccccc2)N=C1NC(=O)NCC(N)=O.
What is the InChIKey of 2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide?
The InChIKey is VZQKQBJREPPSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-18-8-10(9-5-3-2-4-6-9)16-12(18)17-13(20)15-7-11(14)19/h2-6,10H,7-8H2,1H3,(H2,14,19)(H2,15,16,17,20).
What are the key properties of 2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide?
2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide has a molecular weight of 275.31 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)carbamoylamino]acetamide is sourced from PubChem (CID 122379511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).