N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide

C22H19N5O2 — CID 172874701

IUPACN-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide
SMILESO=C(Nc1ccc2nc(CN3CCCC3=O)[nH]c2c1)c1ccc2cnccc2c1
InChIInChI=1S/C22H19N5O2/c28-21-2-1-9-27(21)13-20-25-18-6-5-17(11-19(18)26-20)24-22(29)15-3-4-16-12-23-8-7-14(16)10-15/h3-8,10-12H,1-2,9,13H2,(H,24,29)(H,25,26)
InChIKeyGMSVIEOZPBLYCQ-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.49
Rot. Bonds4

About N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide

N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide (PubChem CID 172874701) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide
PubChem CID172874701
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide
SMILESO=C(Nc1ccc2nc(CN3CCCC3=O)[nH]c2c1)c1ccc2cnccc2c1
InChIInChI=1S/C22H19N5O2/c28-21-2-1-9-27(21)13-20-25-18-6-5-17(11-19(18)26-20)24-22(29)15-3-4-16-12-23-8-7-14(16)10-15/h3-8,10-12H,1-2,9,13H2,(H,24,29)(H,25,26)
InChIKeyGMSVIEOZPBLYCQ-UHFFFAOYSA-N
XLogP3.49
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]carbamoyl]benzoic acid
CID 163266294
2-chloro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47838444
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60613246
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 60604198
methyl 3-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]carbamoyl]benzoate
CID 167508308
4-bromo-N-[2-[2-(hydroxymethyl)-3H-benzimidazole-5-carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]isoquinoline-6-carboxamide
CID 171706462
N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide
CID 166261890
N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 45493372
[2-formyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]boronic acid
CID 166430535
N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide
CID 166327747
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
CID 154836812

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide?
The IUPAC name of N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide (CID 172874701) is N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide?
The canonical SMILES for N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide is O=C(Nc1ccc2nc(CN3CCCC3=O)[nH]c2c1)c1ccc2cnccc2c1.
What is the InChIKey of N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide?
The InChIKey is GMSVIEOZPBLYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-21-2-1-9-27(21)13-20-25-18-6-5-17(11-19(18)26-20)24-22(29)15-3-4-16-12-23-8-7-14(16)10-15/h3-8,10-12H,1-2,9,13H2,(H,24,29)(H,25,26).
What are the key properties of N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide?
N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide is sourced from PubChem (CID 172874701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).