1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea

C26H26N4O3S — CID 145032611

IUPAC1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea
SMILESCOc1ccccc1-n1ccnc1C(Cc1ccccc1)NC(=O)NS(=O)c1ccccc1C
InChIInChI=1S/C26H26N4O3S/c1-19-10-6-9-15-24(19)34(32)29-26(31)28-21(18-20-11-4-3-5-12-20)25-27-16-17-30(25)22-13-7-8-14-23(22)33-2/h3-17,21H,18H2,1-2H3,(H2,28,29,31)
InChIKeyOOMOQDBUTALFGU-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.50
Rot. Bonds8

About 1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea

1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea (PubChem CID 145032611) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea.

Molecular Properties

Compound Name1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea
PubChem CID145032611
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea
SMILESCOc1ccccc1-n1ccnc1C(Cc1ccccc1)NC(=O)NS(=O)c1ccccc1C
InChIInChI=1S/C26H26N4O3S/c1-19-10-6-9-15-24(19)34(32)29-26(31)28-21(18-20-11-4-3-5-12-20)25-27-16-17-30(25)22-13-7-8-14-23(22)33-2/h3-17,21H,18H2,1-2H3,(H2,28,29,31)
InChIKeyOOMOQDBUTALFGU-UHFFFAOYSA-N
XLogP4.50
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[1-[(2-methylphenyl)sulfinylcarbamoylamino]-2-phenylethyl]imidazol-1-yl]phenyl]butanamide
CID 145032550
1-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950753
1-[(1S)-1-[1-(3-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950919
1-methyl-3-[1-[1-(1-methylbenzimidazol-5-yl)imidazol-2-yl]-2-phenylethyl]urea
CID 145032559
1-[1-[5-bromo-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2-phenylethyl]-3-(4-methylphenyl)sulfinylurea
CID 145032509
1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-(4-nitrophenyl)imidazol-2-yl]-2-phenylethyl]urea
CID 118951002
3-(benzylamino)-1-(2-methoxyphenyl)pyrazin-2-one
CID 18591898
N-[1-[1-(4-bromophenyl)imidazol-2-yl]-2-phenylethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 166790108
1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[3-(2-oxopentyl)phenyl]imidazol-2-yl]-2-phenylethyl]urea
CID 149053875
1-[(1S)-1-[1-(1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950694
1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950529
1-[1-[1-(1,3-benzothiazol-5-yl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea
CID 118950695

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea?
The IUPAC name of 1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea (CID 145032611) is 1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea.
What is the SMILES notation for 1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea?
The canonical SMILES for 1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea is COc1ccccc1-n1ccnc1C(Cc1ccccc1)NC(=O)NS(=O)c1ccccc1C.
What is the InChIKey of 1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea?
The InChIKey is OOMOQDBUTALFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-19-10-6-9-15-24(19)34(32)29-26(31)28-21(18-20-11-4-3-5-12-20)25-27-16-17-30(25)22-13-7-8-14-23(22)33-2/h3-17,21H,18H2,1-2H3,(H2,28,29,31).
What are the key properties of 1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea?
1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea has a molecular weight of 474.59 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfinylurea is sourced from PubChem (CID 145032611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).