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

C16H12ClN5O2 — CID 146507997

IUPAC2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
SMILESN#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1ccnc(Cl)c1
InChIInChI=1S/C16H12ClN5O2/c17-12-7-9(3-4-19-12)13-10(8-18)1-2-11(23)14(13)15(24)22-16-20-5-6-21-16/h1-4,7,23H,5-6H2,(H2,20,21,22,24)
InChIKeyYUSOUKAZVUQMDP-UHFFFAOYSA-N
MW341.76 g/mol
LogP1.67
Rot. Bonds2

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

2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide (PubChem CID 146507997) has the molecular formula C16H12ClN5O2 and a molecular weight of 341.76 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
PubChem CID146507997
Molecular FormulaC16H12ClN5O2
Molecular Weight341.76 g/mol
Exact Mass341.07
IUPAC Name2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
SMILESN#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1ccnc(Cl)c1
InChIInChI=1S/C16H12ClN5O2/c17-12-7-9(3-4-19-12)13-10(8-18)1-2-11(23)14(13)15(24)22-16-20-5-6-21-16/h1-4,7,23H,5-6H2,(H2,20,21,22,24)
InChIKeyYUSOUKAZVUQMDP-UHFFFAOYSA-N
XLogP1.67
TPSA110.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-3-methoxyphenyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
CID 146507961
3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-5-methoxy-4-pyridinyl)-6-hydroxybenzamide
CID 146507996
2-(5-chloro-3-pyridinyl)-3-cyano-N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-6-hydroxybenzamide
CID 146508127
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
3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxy-N-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)benzamide
CID 146508212
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;3,4-dihydroxybenzoic acid
CID 146265325
3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoic acid;dihydrate
CID 139056648
3-cyano-N-(diaminomethylidene)-2-(3,5-dichlorophenyl)-6-hydroxybenzamide
CID 146508042
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 113255877
2-chloro-N-(2-cyanoethyl)pyridine-4-carboxamide
CID 14054594
3-acetyl-2-chloro-4-hydroxybenzonitrile
CID 171008953
2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 134619705

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide (CID 146507997) is 2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide is N#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1ccnc(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide?
The InChIKey is YUSOUKAZVUQMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O2/c17-12-7-9(3-4-19-12)13-10(8-18)1-2-11(23)14(13)15(24)22-16-20-5-6-21-16/h1-4,7,23H,5-6H2,(H2,20,21,22,24).
What are the key properties of 2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide?
2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide has a molecular weight of 341.76 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide is sourced from PubChem (CID 146507997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).