(4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone

C17H13ClN4O — CID 136545133

IUPAC(4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-c2ncc[nH]2)c1)N1Cc2cccc(Cl)c2C1
InChIInChI=1S/C17H13ClN4O/c18-14-3-1-2-12-9-22(10-13(12)14)17(23)11-4-5-19-15(8-11)16-20-6-7-21-16/h1-8H,9-10H2,(H,20,21)
InChIKeyBBAOQXBVUWQPDH-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.28
Rot. Bonds2

About (4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone

(4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone (PubChem CID 136545133) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is (4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
PubChem CID136545133
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name(4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-c2ncc[nH]2)c1)N1Cc2cccc(Cl)c2C1
InChIInChI=1S/C17H13ClN4O/c18-14-3-1-2-12-9-22(10-13(12)14)17(23)11-4-5-19-15(8-11)16-20-6-7-21-16/h1-8H,9-10H2,(H,20,21)
InChIKeyBBAOQXBVUWQPDH-UHFFFAOYSA-N
XLogP3.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 125419699
5-(4-chloro-1,3-dihydroisoindole-2-carbonyl)-2-hydroxybenzoic acid
CID 170966642
[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
CID 154850598
(3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191035
[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 56744876
(3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
CID 154796639
[2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 154858565
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 156606440
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one
CID 121184533
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl(1H-indol-6-yl)methanone
CID 121184526
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95708619
[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 77096390

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone?
The IUPAC name of (4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone (CID 136545133) is (4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone.
What is the SMILES notation for (4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone?
The canonical SMILES for (4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone is O=C(c1ccnc(-c2ncc[nH]2)c1)N1Cc2cccc(Cl)c2C1.
What is the InChIKey of (4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone?
The InChIKey is BBAOQXBVUWQPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-14-3-1-2-12-9-22(10-13(12)14)17(23)11-4-5-19-15(8-11)16-20-6-7-21-16/h1-8H,9-10H2,(H,20,21).
What are the key properties of (4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone?
(4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone has a molecular weight of 324.77 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 136545133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).