2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide

C27H32N4O2 — CID 11362785

IUPAC2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C27H32N4O2/c32-26(19-7-3-1-4-8-19)29-22-14-11-18(12-15-22)25-30-23-16-13-20(17-24(23)31-25)27(33)28-21-9-5-2-6-10-21/h11-17,19,21H,1-10H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyXHYOVBJBMRTOAX-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.81
Rot. Bonds5

About 2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide

2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide (PubChem CID 11362785) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide
PubChem CID11362785
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C27H32N4O2/c32-26(19-7-3-1-4-8-19)29-22-14-11-18(12-15-22)25-30-23-16-13-20(17-24(23)31-25)27(33)28-21-9-5-2-6-10-21/h11-17,19,21H,1-10H2,(H,28,33)(H,29,32)(H,30,31)
InChIKeyXHYOVBJBMRTOAX-UHFFFAOYSA-N
XLogP5.81
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide (CID 11362785) is 2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide is O=C(NC1CCCCC1)c1ccc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
The InChIKey is XHYOVBJBMRTOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c32-26(19-7-3-1-4-8-19)29-22-14-11-18(12-15-22)25-30-23-16-13-20(17-24(23)31-25)27(33)28-21-9-5-2-6-10-21/h11-17,19,21H,1-10H2,(H,28,33)(H,29,32)(H,30,31).
What are the key properties of 2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide?
2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 5.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexanecarbonylamino)phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11362785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).