4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one

C22H20N4O2 — CID 71827968

IUPAC4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
SMILESO=C(c1c[nH]c(=O)c2ccccc12)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H20N4O2/c27-21-16-6-2-1-5-15(16)17(13-23-21)22(28)26-11-9-14(10-12-26)20-24-18-7-3-4-8-19(18)25-20/h1-8,13-14H,9-12H2,(H,23,27)(H,24,25)
InChIKeyGFZJWHZXVLSBTH-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.42
Rot. Bonds2

About 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one

4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one (PubChem CID 71827968) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
PubChem CID71827968
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
SMILESO=C(c1c[nH]c(=O)c2ccccc12)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C22H20N4O2/c27-21-16-6-2-1-5-15(16)17(13-23-21)22(28)26-11-9-14(10-12-26)20-24-18-7-3-4-8-19(18)25-20/h1-8,13-14H,9-12H2,(H,23,27)(H,24,25)
InChIKeyGFZJWHZXVLSBTH-UHFFFAOYSA-N
XLogP3.42
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 33116238
3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-8-fluoro-1H-quinolin-4-one
CID 71828001
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 43981443
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
CID 71898934
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 55536470
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 37437294
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
CID 138034009
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 43981442
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 33119811

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one (CID 71827968) is 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one is O=C(c1c[nH]c(=O)c2ccccc12)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one?
The InChIKey is GFZJWHZXVLSBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21-16-6-2-1-5-15(16)17(13-23-21)22(28)26-11-9-14(10-12-26)20-24-18-7-3-4-8-19(18)25-20/h1-8,13-14H,9-12H2,(H,23,27)(H,24,25).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one?
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one has a molecular weight of 372.43 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one is sourced from PubChem (CID 71827968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).