4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide

C28H34N4O4 — CID 142813021

IUPAC4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide
SMILESO=C(CNc1ccc(-c2nc3ccc(NC(=O)C4CCC(O)CC4)cc3[nH]2)cc1)C1CCC(O)CC1
InChIInChI=1S/C28H34N4O4/c33-22-10-3-17(4-11-22)26(35)16-29-20-7-1-18(2-8-20)27-31-24-14-9-21(15-25(24)32-27)30-28(36)19-5-12-23(34)13-6-19/h1-2,7-9,14-15,17,19,22-23,29,33-34H,3-6,10-13,16H2,(H,30,36)(H,31,32)
InChIKeyXHSQUSUCGYALGB-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.25
Rot. Bonds7

About 4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide

4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide (PubChem CID 142813021) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide
PubChem CID142813021
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide
SMILESO=C(CNc1ccc(-c2nc3ccc(NC(=O)C4CCC(O)CC4)cc3[nH]2)cc1)C1CCC(O)CC1
InChIInChI=1S/C28H34N4O4/c33-22-10-3-17(4-11-22)26(35)16-29-20-7-1-18(2-8-20)27-31-24-14-9-21(15-25(24)32-27)30-28(36)19-5-12-23(34)13-6-19/h1-2,7-9,14-15,17,19,22-23,29,33-34H,3-6,10-13,16H2,(H,30,36)(H,31,32)
InChIKeyXHSQUSUCGYALGB-UHFFFAOYSA-N
XLogP4.25
TPSA127.34 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide
CID 142169462
acetic acid;N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 138393444
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-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]piperidine-3-carboxamide;dihydrochloride
CID 119854445
N-(2-bicyclo[2.2.1]heptanyl)-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 20740008
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55848768
N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 10310566

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide (CID 142813021) is 4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide is O=C(CNc1ccc(-c2nc3ccc(NC(=O)C4CCC(O)CC4)cc3[nH]2)cc1)C1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide?
The InChIKey is XHSQUSUCGYALGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c33-22-10-3-17(4-11-22)26(35)16-29-20-7-1-18(2-8-20)27-31-24-14-9-21(15-25(24)32-27)30-28(36)19-5-12-23(34)13-6-19/h1-2,7-9,14-15,17,19,22-23,29,33-34H,3-6,10-13,16H2,(H,30,36)(H,31,32).
What are the key properties of 4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide?
4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 4.25, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-[4-[[2-(4-hydroxycyclohexyl)-2-oxoethyl]amino]phenyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 142813021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).