1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid

C20H22N4O4 — CID 50982518

IUPAC1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)n(Cc1nnc(C3CC3)o1)c(=O)n2C1CCCCC1
InChIInChI=1S/C20H22N4O4/c25-19(26)13-8-9-15-16(10-13)23(11-17-21-22-18(28-17)12-6-7-12)20(27)24(15)14-4-2-1-3-5-14/h8-10,12,14H,1-7,11H2,(H,25,26)
InChIKeyKWIUHFUXKBWIDY-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.32
Rot. Bonds5

About 1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid

1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid (PubChem CID 50982518) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid
PubChem CID50982518
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)n(Cc1nnc(C3CC3)o1)c(=O)n2C1CCCCC1
InChIInChI=1S/C20H22N4O4/c25-19(26)13-8-9-15-16(10-13)23(11-17-21-22-18(28-17)12-6-7-12)20(27)24(15)14-4-2-1-3-5-14/h8-10,12,14H,1-7,11H2,(H,25,26)
InChIKeyKWIUHFUXKBWIDY-UHFFFAOYSA-N
XLogP3.32
TPSA103.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid (CID 50982518) is 1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)n(Cc1nnc(C3CC3)o1)c(=O)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid?
The InChIKey is KWIUHFUXKBWIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c25-19(26)13-8-9-15-16(10-13)23(11-17-21-22-18(28-17)12-6-7-12)20(27)24(15)14-4-2-1-3-5-14/h8-10,12,14H,1-7,11H2,(H,25,26).
What are the key properties of 1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid?
1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxylic acid is sourced from PubChem (CID 50982518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).