1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide

C36H36N4O4 — CID 3012670

IUPAC1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide
SMILESO=C(NC1(C(=O)Nc2ccc(-c3ccc(O)cc3)cc2)CCCC1)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1
InChIInChI=1S/C36H36N4O4/c41-30-15-10-25(11-16-30)24-8-13-28(14-9-24)37-35(43)36(19-4-5-20-36)39-34(42)26-12-17-32-31(22-26)38-33(27-18-21-44-23-27)40(32)29-6-2-1-3-7-29/h8-18,21-23,29,41H,1-7,19-20H2,(H,37,43)(H,39,42)
InChIKeyCZYCPANYBCEPGD-UHFFFAOYSA-N
MW588.71 g/mol
LogP7.86
Rot. Bonds7

About 1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide

1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide (PubChem CID 3012670) has the molecular formula C36H36N4O4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide
PubChem CID3012670
Molecular FormulaC36H36N4O4
Molecular Weight588.71 g/mol
Exact Mass588.27
IUPAC Name1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide
SMILESO=C(NC1(C(=O)Nc2ccc(-c3ccc(O)cc3)cc2)CCCC1)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1
InChIInChI=1S/C36H36N4O4/c41-30-15-10-25(11-16-30)24-8-13-28(14-9-24)37-35(43)36(19-4-5-20-36)39-34(42)26-12-17-32-31(22-26)38-33(27-18-21-44-23-27)40(32)29-6-2-1-3-7-29/h8-18,21-23,29,41H,1-7,19-20H2,(H,37,43)(H,39,42)
InChIKeyCZYCPANYBCEPGD-UHFFFAOYSA-N
XLogP7.86
TPSA109.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 57.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide (CID 3012670) is 1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide is O=C(NC1(C(=O)Nc2ccc(-c3ccc(O)cc3)cc2)CCCC1)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide?
The InChIKey is CZYCPANYBCEPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N4O4/c41-30-15-10-25(11-16-30)24-8-13-28(14-9-24)37-35(43)36(19-4-5-20-36)39-34(42)26-12-17-32-31(22-26)38-33(27-18-21-44-23-27)40(32)29-6-2-1-3-7-29/h8-18,21-23,29,41H,1-7,19-20H2,(H,37,43)(H,39,42).
What are the key properties of 1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide?
1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide has a molecular weight of 588.71 g/mol, XLogP of 7.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(furan-3-yl)-N-[1-[[4-(4-hydroxyphenyl)phenyl]carbamoyl]cyclopentyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 3012670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).