1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide

C19H21N3O2 — CID 23378171

IUPAC1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1
InChIInChI=1S/C19H21N3O2/c1-20-19(23)13-7-8-17-16(11-13)21-18(14-9-10-24-12-14)22(17)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,20,23)
InChIKeySDKBZBMHGSKPFR-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.16
Rot. Bonds3

About 1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide

1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide (PubChem CID 23378171) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide
PubChem CID23378171
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1
InChIInChI=1S/C19H21N3O2/c1-20-19(23)13-7-8-17-16(11-13)21-18(14-9-10-24-12-14)22(17)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,20,23)
InChIKeySDKBZBMHGSKPFR-UHFFFAOYSA-N
XLogP4.16
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.16
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)-N-methylbenzimidazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide (CID 23378171) is 1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide is CNC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide?
The InChIKey is SDKBZBMHGSKPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-20-19(23)13-7-8-17-16(11-13)21-18(14-9-10-24-12-14)22(17)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,20,23).
What are the key properties of 1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide?
1-cyclohexyl-2-(furan-3-yl)-N-methylbenzimidazole-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 4.16, 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)-N-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 23378171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).