N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide

C29H36N4O2 — CID 71131022

IUPACN-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide
SMILESO=C(NC1=CC=C(c2ncc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]2)CC1)C1CCCCC1
InChIInChI=1S/C29H36N4O2/c34-28(22-7-3-1-4-8-22)31-24-15-11-20(12-16-24)26-19-30-27(33-26)21-13-17-25(18-14-21)32-29(35)23-9-5-2-6-10-23/h11-13,15-17,19,22-23H,1-10,14,18H2,(H,30,33)(H,31,34)(H,32,35)
InChIKeyWWVISVJRZZQZOB-UHFFFAOYSA-N
MW472.63 g/mol
LogP6.35
Rot. Bonds6

About N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide

N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide (PubChem CID 71131022) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide
PubChem CID71131022
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC NameN-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide
SMILESO=C(NC1=CC=C(c2ncc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]2)CC1)C1CCCCC1
InChIInChI=1S/C29H36N4O2/c34-28(22-7-3-1-4-8-22)31-24-15-11-20(12-16-24)26-19-30-27(33-26)21-13-17-25(18-14-21)32-29(35)23-9-5-2-6-10-23/h11-13,15-17,19,22-23H,1-10,14,18H2,(H,30,33)(H,31,34)(H,32,35)
InChIKeyWWVISVJRZZQZOB-UHFFFAOYSA-N
XLogP6.35
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 56.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide (CID 71131022) is N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide is O=C(NC1=CC=C(c2ncc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]2)CC1)C1CCCCC1.
What is the InChIKey of N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide?
The InChIKey is WWVISVJRZZQZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c34-28(22-7-3-1-4-8-22)31-24-15-11-20(12-16-24)26-19-30-27(33-26)21-13-17-25(18-14-21)32-29(35)23-9-5-2-6-10-23/h11-13,15-17,19,22-23H,1-10,14,18H2,(H,30,33)(H,31,34)(H,32,35).
What are the key properties of N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide?
N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide has a molecular weight of 472.63 g/mol, XLogP of 6.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[4-(cyclohexanecarbonylamino)phenyl]-1H-imidazol-2-yl]cyclohexa-1,3-dien-1-yl]cyclohexanecarboxamide is sourced from PubChem (CID 71131022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).