[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea

C16H13ClN4O2 — CID 2406850

IUPAC[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
SMILESNC(=O)/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C16H13ClN4O2/c17-12-7-3-1-5-10(12)9-21-13-8-4-2-6-11(13)14(15(21)22)19-20-16(18)23/h1-8,22H,9H2,(H2,18,23)/b20-19+
InChIKeySXQVSOWSAUUSIW-FMQUCBEESA-N
MW328.76 g/mol
LogP4.21
Rot. Bonds3

About [1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea

[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea (PubChem CID 2406850) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
PubChem CID2406850
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
SMILESNC(=O)/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C16H13ClN4O2/c17-12-7-3-1-5-10(12)9-21-13-8-4-2-6-11(13)14(15(21)22)19-20-16(18)23/h1-8,22H,9H2,(H2,18,23)/b20-19+
InChIKeySXQVSOWSAUUSIW-FMQUCBEESA-N
XLogP4.21
TPSA92.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 54.21
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

2-(2-chlorophenoxy)-N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminoacetamide
CID 135604198
[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 767162
2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
CID 137172299
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide
CID 3769673
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminobenzenesulfonamide
CID 2461663
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4210172
[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea
CID 4158642
4-[[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-3-nitrobenzenesulfonamide
CID 5009056
(3R)-N-[2-[[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1391208
(E)-N-[2-[[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135526905
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2-(2-oxochromen-7-yl)oxyacetamide
CID 137179335
4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
CID 137172294

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea (CID 2406850) is [1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea is NC(=O)/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccccc12.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea?
The InChIKey is SXQVSOWSAUUSIW-FMQUCBEESA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-12-7-3-1-5-10(12)9-21-13-8-4-2-6-11(13)14(15(21)22)19-20-16(18)23/h1-8,22H,9H2,(H2,18,23)/b20-19+.
What are the key properties of [1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea?
[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea has a molecular weight of 328.76 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea is sourced from PubChem (CID 2406850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).