methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate

C24H26N4O3 — CID 102406174

IUPACmethyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1ccc3c(c1)[nH]c(=O)n3C(C)C)n2C1CCCC1
InChIInChI=1S/C24H26N4O3/c1-14(2)27-20-10-8-15(12-19(20)26-24(27)30)22-25-18-13-16(23(29)31-3)9-11-21(18)28(22)17-6-4-5-7-17/h8-14,17H,4-7H2,1-3H3,(H,26,30)
InChIKeyPQCFPCXAYPGWDZ-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.83
Rot. Bonds4

About methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate

methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate (PubChem CID 102406174) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate
PubChem CID102406174
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Namemethyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1ccc3c(c1)[nH]c(=O)n3C(C)C)n2C1CCCC1
InChIInChI=1S/C24H26N4O3/c1-14(2)27-20-10-8-15(12-19(20)26-24(27)30)22-25-18-13-16(23(29)31-3)9-11-21(18)28(22)17-6-4-5-7-17/h8-14,17H,4-7H2,1-3H3,(H,26,30)
InChIKeyPQCFPCXAYPGWDZ-UHFFFAOYSA-N
XLogP4.83
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate (CID 102406174) is methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(-c1ccc3c(c1)[nH]c(=O)n3C(C)C)n2C1CCCC1.
What is the InChIKey of methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate?
The InChIKey is PQCFPCXAYPGWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-14(2)27-20-10-8-15(12-19(20)26-24(27)30)22-25-18-13-16(23(29)31-3)9-11-21(18)28(22)17-6-4-5-7-17/h8-14,17H,4-7H2,1-3H3,(H,26,30).
What are the key properties of methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate?
methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate has a molecular weight of 418.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopentyl-2-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzimidazole-5-carboxylate is sourced from PubChem (CID 102406174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).