2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide

C18H15ClN4O3 — CID 146507961

IUPAC2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
SMILESCOc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1Cl
InChIInChI=1S/C18H15ClN4O3/c1-26-13-4-2-3-11(16(13)19)14-10(9-20)5-6-12(24)15(14)17(25)23-18-21-7-8-22-18/h2-6,24H,7-8H2,1H3,(H2,21,22,23,25)
InChIKeyCQEHOYVMPFFETI-UHFFFAOYSA-N
MW370.80 g/mol
LogP2.28
Rot. Bonds3

About 2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide

2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide (PubChem CID 146507961) has the molecular formula C18H15ClN4O3 and a molecular weight of 370.80 g/mol. Its IUPAC name is 2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide.

Molecular Properties

Compound Name2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
PubChem CID146507961
Molecular FormulaC18H15ClN4O3
Molecular Weight370.80 g/mol
Exact Mass370.08
IUPAC Name2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
SMILESCOc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1Cl
InChIInChI=1S/C18H15ClN4O3/c1-26-13-4-2-3-11(16(13)19)14-10(9-20)5-6-12(24)15(14)17(25)23-18-21-7-8-22-18/h2-6,24H,7-8H2,1H3,(H2,21,22,23,25)
InChIKeyCQEHOYVMPFFETI-UHFFFAOYSA-N
XLogP2.28
TPSA106.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide
CID 146507996
2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
CID 146507997
3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
CID 146508212
5-cyano-3-[4-[6-cyano-2-[(4,4-dimethyl-1,5-dihydroimidazol-2-yl)carbamoyl]-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-6-(4-methoxy-3-pyridinyl)benzamide
CID 166768397
2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide
CID 146508127
2-(2-chloro-3-fluorophenyl)-3-cyano-6-hydroxy-N-(N'-methylcarbamimidoyl)benzamide
CID 146508004
2-(2-chloro-3-fluorophenyl)-3-cyano-N-(N'-cyanocarbamimidoyl)-6-hydroxybenzamide
CID 146508128
N-(3,4-dichlorophenyl)-2-hydroxy-6-methoxybenzamide
CID 4130040
3-cyano-N-(diaminomethylidene)-2-(3-fluoro-2-methoxyphenyl)-6-hydroxybenzamide
CID 146508148
2-(2-chloro-3-fluorophenyl)-3-cyano-N-(diaminomethylidene)-6-hydroxybenzamide
CID 146508038
2-acetyl-3-chloro-4-methoxybenzonitrile
CID 171003277
N-(2-chlorophenyl)-2-hydroxy-6-methoxybenzamide
CID 84579322

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide?
The IUPAC name of 2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide (CID 146507961) is 2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide.
What is the SMILES notation for 2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide?
The canonical SMILES for 2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide is COc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1Cl.
What is the InChIKey of 2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide?
The InChIKey is CQEHOYVMPFFETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3/c1-26-13-4-2-3-11(16(13)19)14-10(9-20)5-6-12(24)15(14)17(25)23-18-21-7-8-22-18/h2-6,24H,7-8H2,1H3,(H2,21,22,23,25).
What are the key properties of 2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide?
2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide has a molecular weight of 370.80 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide is sourced from PubChem (CID 146507961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).