1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one

C26H31N5O2 — CID 58229040

IUPAC1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one
SMILESO=C1NCC(c2ccc(C3CCC(N4CCOCC4)CC3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C26H31N5O2/c32-26-27-16-25(31(26)22-9-10-23-24(15-22)29-17-28-23)20-3-1-18(2-4-20)19-5-7-21(8-6-19)30-11-13-33-14-12-30/h1-4,9-10,15,17,19,21,25H,5-8,11-14,16H2,(H,27,32)(H,28,29)
InChIKeyIVJVPOPTXDKMTO-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.19
Rot. Bonds4

About 1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one

1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one (PubChem CID 58229040) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one
PubChem CID58229040
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one
SMILESO=C1NCC(c2ccc(C3CCC(N4CCOCC4)CC3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C26H31N5O2/c32-26-27-16-25(31(26)22-9-10-23-24(15-22)29-17-28-23)20-3-1-18(2-4-20)19-5-7-21(8-6-19)30-11-13-33-14-12-30/h1-4,9-10,15,17,19,21,25H,5-8,11-14,16H2,(H,27,32)(H,28,29)
InChIKeyIVJVPOPTXDKMTO-UHFFFAOYSA-N
XLogP4.19
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one (CID 58229040) is 1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one is O=C1NCC(c2ccc(C3CCC(N4CCOCC4)CC3)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one?
The InChIKey is IVJVPOPTXDKMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c32-26-27-16-25(31(26)22-9-10-23-24(15-22)29-17-28-23)20-3-1-18(2-4-20)19-5-7-21(8-6-19)30-11-13-33-14-12-30/h1-4,9-10,15,17,19,21,25H,5-8,11-14,16H2,(H,27,32)(H,28,29).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one has a molecular weight of 445.57 g/mol, XLogP of 4.19, 4 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)-5-[4-(4-morpholin-4-ylcyclohexyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 58229040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).