1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine

C26H35N5O2 — CID 165099303

IUPAC1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine
SMILESC=C/C=C\C(=C)C1CCC(N2CCOCC2)CC1.O=C1NCCN1c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H25NO.C10H10N4O/c1-3-4-5-14(2)15-6-8-16(9-7-15)17-10-12-18-13-11-17;15-10-11-3-4-14(10)7-1-2-8-9(5-7)13-6-12-8/h3-5,15-16H,1-2,6-13H2;1-2,5-6H,3-4H2,(H,11,15)(H,12,13)/b5-4-;
InChIKeyYBBCVWBYNHBRHZ-MKWAYWHRSA-N
MW449.60 g/mol
LogP4.27
Rot. Bonds5

About 1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine

1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine (PubChem CID 165099303) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine
PubChem CID165099303
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine
SMILESC=C/C=C\C(=C)C1CCC(N2CCOCC2)CC1.O=C1NCCN1c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H25NO.C10H10N4O/c1-3-4-5-14(2)15-6-8-16(9-7-15)17-10-12-18-13-11-17;15-10-11-3-4-14(10)7-1-2-8-9(5-7)13-6-12-8/h3-5,15-16H,1-2,6-13H2;1-2,5-6H,3-4H2,(H,11,15)(H,12,13)/b5-4-;
InChIKeyYBBCVWBYNHBRHZ-MKWAYWHRSA-N
XLogP4.27
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 22567344
1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione
CID 163231131
1-(3H-benzimidazol-5-yl)-2-[(2E,4Z)-6-cyclohexylhepta-2,4,6-trien-3-yl]-4-methoxy-3-methyl-2H-pyrrol-5-one
CID 155371572
1-(3H-benzimidazol-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709953
(4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 58229168
1-(3H-benzimidazol-5-yl)-3-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-ethyl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-3-morpholin-4-yl-2-(4-morpholin-4-ylphenyl)-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperazin-1-yl-2H-pyrrol-5-one;1-(3H-benzimidazol-5-yl)-2-(4-morpholin-4-ylphenyl)-3-piperidin-1-yl-2H-pyrrol-5-one
CID 162005738
3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
CID 58229114
N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 51100170
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 50939051
1-(4-pyrrolidin-1-ylphenyl)imidazolidin-2-one
CID 113296281
1-(3H-benzimidazol-5-yl)diazinan-3-one
CID 154416908
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 90436321

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine (CID 165099303) is 1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine is C=C/C=C\C(=C)C1CCC(N2CCOCC2)CC1.O=C1NCCN1c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine?
The InChIKey is YBBCVWBYNHBRHZ-MKWAYWHRSA-N. The full InChI is InChI=1S/C16H25NO.C10H10N4O/c1-3-4-5-14(2)15-6-8-16(9-7-15)17-10-12-18-13-11-17;15-10-11-3-4-14(10)7-1-2-8-9(5-7)13-6-12-8/h3-5,15-16H,1-2,6-13H2;1-2,5-6H,3-4H2,(H,11,15)(H,12,13)/b5-4-;.
What are the key properties of 1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine?
1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine has a molecular weight of 449.60 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)imidazolidin-2-one;4-[4-[(3Z)-hexa-1,3,5-trien-2-yl]cyclohexyl]morpholine is sourced from PubChem (CID 165099303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).