4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide

C27H32N4O4 — CID 10140436

IUPAC4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCC(O)CC4)cc3[nH]2)cc1)C1CCC(O)CC1
InChIInChI=1S/C27H32N4O4/c32-21-10-3-17(4-11-21)26(34)28-19-7-1-16(2-8-19)25-30-23-14-9-20(15-24(23)31-25)29-27(35)18-5-12-22(33)13-6-18/h1-2,7-9,14-15,17-18,21-22,32-33H,3-6,10-13H2,(H,28,34)(H,29,35)(H,30,31)
InChIKeyVRISBHAGHFUQDL-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.21
Rot. Bonds5

About 4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide

4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide (PubChem CID 10140436) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
PubChem CID10140436
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCC(O)CC4)cc3[nH]2)cc1)C1CCC(O)CC1
InChIInChI=1S/C27H32N4O4/c32-21-10-3-17(4-11-21)26(34)28-19-7-1-16(2-8-19)25-30-23-14-9-20(15-24(23)31-25)29-27(35)18-5-12-22(33)13-6-18/h1-2,7-9,14-15,17-18,21-22,32-33H,3-6,10-13H2,(H,28,34)(H,29,35)(H,30,31)
InChIKeyVRISBHAGHFUQDL-UHFFFAOYSA-N
XLogP4.21
TPSA127.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide
CID 142813021
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide
CID 142169462
N-[4-(6-formamido-1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide
CID 142812767
[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
CID 142812894
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 10310566
N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 10163584
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride
CID 119854445

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide (CID 10140436) is 4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide is O=C(Nc1ccc(-c2nc3ccc(NC(=O)C4CCC(O)CC4)cc3[nH]2)cc1)C1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is VRISBHAGHFUQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c32-21-10-3-17(4-11-21)26(34)28-19-7-1-16(2-8-19)25-30-23-14-9-20(15-24(23)31-25)29-27(35)18-5-12-22(33)13-6-18/h1-2,7-9,14-15,17-18,21-22,32-33H,3-6,10-13H2,(H,28,34)(H,29,35)(H,30,31).
What are the key properties of 4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide?
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 4.21, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 10140436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).