1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea

C16H13ClN4O2 — CID 135495300

IUPAC1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
SMILESCn1c(O)c(/N=N/C(=O)Nc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C16H13ClN4O2/c1-21-13-9-5-2-6-10(13)14(15(21)22)19-20-16(23)18-12-8-4-3-7-11(12)17/h2-9,22H,1H3,(H,18,23)/b20-19+
InChIKeyRVHNVSXVJAQRGO-FMQUCBEESA-N
MW328.76 g/mol
LogP4.85
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea

1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea (PubChem CID 135495300) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
PubChem CID135495300
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
SMILESCn1c(O)c(/N=N/C(=O)Nc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C16H13ClN4O2/c1-21-13-9-5-2-6-10(13)14(15(21)22)19-20-16(23)18-12-8-4-3-7-11(12)17/h2-9,22H,1H3,(H,18,23)/b20-19+
InChIKeyRVHNVSXVJAQRGO-FMQUCBEESA-N
XLogP4.85
TPSA78.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135443748
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide
CID 3371203
2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 135951883
(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate
CID 137263545
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137143636
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4500384
1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine
CID 135529719
1-[2-hydroxy-1-methyl-5-(trifluoromethoxy)indol-3-yl]imino-3-phenylurea
CID 139245061
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 3729136
N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide
CID 3821867
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
CID 1138559

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea (CID 135495300) is 1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea is Cn1c(O)c(/N=N/C(=O)Nc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea?
The InChIKey is RVHNVSXVJAQRGO-FMQUCBEESA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-21-13-9-5-2-6-10(13)14(15(21)22)19-20-16(23)18-12-8-4-3-7-11(12)17/h2-9,22H,1H3,(H,18,23)/b20-19+.
What are the key properties of 1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea?
1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea has a molecular weight of 328.76 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea is sourced from PubChem (CID 135495300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).