N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide

C27H32N4O2 — CID 1109365

IUPACN-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCC1
InChIInChI=1S/C27H32N4O2/c32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20/h11-17,19-20H,1-10H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyHVQXNCQKIFTORZ-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.27
Rot. Bonds5

About N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide

N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 1109365) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide
PubChem CID1109365
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC NameN-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCC1
InChIInChI=1S/C27H32N4O2/c32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20/h11-17,19-20H,1-10H2,(H,28,32)(H,29,33)(H,30,31)
InChIKeyHVQXNCQKIFTORZ-UHFFFAOYSA-N
XLogP6.27
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 ≤ 56.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide (CID 1109365) is N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is HVQXNCQKIFTORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20/h11-17,19-20H,1-10H2,(H,28,32)(H,29,33)(H,30,31).
What are the key properties of N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide?
N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 444.58 g/mol, XLogP of 6.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 1109365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).