N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide

C26H28N4O2 — CID 45370337

IUPACN-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2
InChIInChI=1S/C26H28N4O2/c31-23(29-25-27-20-13-5-6-14-21(20)28-25)22-18-11-3-4-12-19(18)24(32)30(17-9-1-2-10-17)26(22)15-7-8-16-26/h3-6,11-14,17,22H,1-2,7-10,15-16H2,(H2,27,28,29,31)
InChIKeyXTJQGRYGVPIHSI-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.00
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide

N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide (PubChem CID 45370337) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
PubChem CID45370337
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2
InChIInChI=1S/C26H28N4O2/c31-23(29-25-27-20-13-5-6-14-21(20)28-25)22-18-11-3-4-12-19(18)24(32)30(17-9-1-2-10-17)26(22)15-7-8-16-26/h3-6,11-14,17,22H,1-2,7-10,15-16H2,(H2,27,28,29,31)
InChIKeyXTJQGRYGVPIHSI-UHFFFAOYSA-N
XLogP5.00
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide (CID 45370337) is N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide is O=C(Nc1nc2ccccc2[nH]1)C1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
The InChIKey is XTJQGRYGVPIHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c31-23(29-25-27-20-13-5-6-14-21(20)28-25)22-18-11-3-4-12-19(18)24(32)30(17-9-1-2-10-17)26(22)15-7-8-16-26/h3-6,11-14,17,22H,1-2,7-10,15-16H2,(H2,27,28,29,31).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide?
N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-cyclopentyl-1-oxospiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide is sourced from PubChem (CID 45370337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).