1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid

C19H20N2O3 — CID 3012619

IUPAC1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)nc(-c1ccoc1)n2C1CCCCC1
InChIInChI=1S/C19H20N2O3/c1-12-9-17-16(10-15(12)19(22)23)20-18(13-7-8-24-11-13)21(17)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,22,23)
InChIKeyVRGNLGKELNFSGE-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.81
Rot. Bonds3

About 1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid

1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid (PubChem CID 3012619) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid
PubChem CID3012619
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)nc(-c1ccoc1)n2C1CCCCC1
InChIInChI=1S/C19H20N2O3/c1-12-9-17-16(10-15(12)19(22)23)20-18(13-7-8-24-11-13)21(17)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,22,23)
InChIKeyVRGNLGKELNFSGE-UHFFFAOYSA-N
XLogP4.81
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid (CID 3012619) is 1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid is Cc1cc2c(cc1C(=O)O)nc(-c1ccoc1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid?
The InChIKey is VRGNLGKELNFSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-9-17-16(10-15(12)19(22)23)20-18(13-7-8-24-11-13)21(17)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,22,23).
What are the key properties of 1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid?
1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(furan-3-yl)-6-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 3012619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).