(2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone

C10H10ClN3O — CID 122608659

IUPAC(2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone
SMILESNC1=NCCN1C(=O)c1ccccc1Cl
InChIInChI=1S/C10H10ClN3O/c11-8-4-2-1-3-7(8)9(15)14-6-5-13-10(14)12/h1-4H,5-6H2,(H2,12,13)
InChIKeyIXAHFBUPEKAARF-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.11
Rot. Bonds1

About (2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone

(2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone (PubChem CID 122608659) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is (2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone
PubChem CID122608659
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name(2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone
SMILESNC1=NCCN1C(=O)c1ccccc1Cl
InChIInChI=1S/C10H10ClN3O/c11-8-4-2-1-3-7(8)9(15)14-6-5-13-10(14)12/h1-4H,5-6H2,(H2,12,13)
InChIKeyIXAHFBUPEKAARF-UHFFFAOYSA-N
XLogP1.11
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone?
The IUPAC name of (2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone (CID 122608659) is (2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone?
The canonical SMILES for (2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone is NC1=NCCN1C(=O)c1ccccc1Cl.
What is the InChIKey of (2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone?
The InChIKey is IXAHFBUPEKAARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-8-4-2-1-3-7(8)9(15)14-6-5-13-10(14)12/h1-4H,5-6H2,(H2,12,13).
What are the key properties of (2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone?
(2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone has a molecular weight of 223.66 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-dihydroimidazol-1-yl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 122608659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).