[2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone

C17H15N3O2 — CID 70102383

IUPAC[2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone
SMILESCOc1ccc(-n2ccnc2N)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H15N3O2/c1-22-13-7-8-15(20-10-9-19-17(20)18)14(11-13)16(21)12-5-3-2-4-6-12/h2-11H,1H3,(H2,18,19)
InChIKeySXNNJFICYLWXQN-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.69
Rot. Bonds4

About [2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone

[2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone (PubChem CID 70102383) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is [2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone
PubChem CID70102383
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name[2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone
SMILESCOc1ccc(-n2ccnc2N)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C17H15N3O2/c1-22-13-7-8-15(20-10-9-19-17(20)18)14(11-13)16(21)12-5-3-2-4-6-12/h2-11H,1H3,(H2,18,19)
InChIKeySXNNJFICYLWXQN-UHFFFAOYSA-N
XLogP2.69
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone
CID 132521712
5-methoxy-2-(2-methylimidazol-1-yl)benzoic acid
CID 84695425
1-(2-fluoro-5-methoxyphenyl)imidazol-2-amine
CID 106576957
(5-methoxy-2-pyridin-2-yloxyphenyl)-phenylmethanone
CID 154487334
CID 172864174
CID 172864174
CID 175499515
CID 175499515
(2-amino-5-methoxyphenyl)-pyridin-2-ylmethanone
CID 105485471
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
CID 767339
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
2-[2-(4-chlorobenzoyl)-4-methoxyphenyl]isoindole-1,3-dione
CID 168519707

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone?
The IUPAC name of [2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone (CID 70102383) is [2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone.
What is the SMILES notation for [2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone?
The canonical SMILES for [2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone is COc1ccc(-n2ccnc2N)c(C(=O)c2ccccc2)c1.
What is the InChIKey of [2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone?
The InChIKey is SXNNJFICYLWXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-13-7-8-15(20-10-9-19-17(20)18)14(11-13)16(21)12-5-3-2-4-6-12/h2-11H,1H3,(H2,18,19).
What are the key properties of [2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone?
[2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone has a molecular weight of 293.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoimidazol-1-yl)-5-methoxyphenyl]-phenylmethanone is sourced from PubChem (CID 70102383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).