1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol

C24H25N3O2 — CID 2947522

IUPAC1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
SMILES[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1CC(O)COc1ccc(C)cc1
InChIInChI=1S/C24H25N3O2/c1-18-11-13-21(14-12-18)29-17-20(28)16-27-23-10-6-5-9-22(23)26(24(27)25)15-19-7-3-2-4-8-19/h2-14,20,25,28H,15-17H2,1H3/b25-24-
InChIKeyIVYCKUSKZRQYJC-IZHYLOQSSA-N
MW387.48 g/mol
LogP3.72
Rot. Bonds7

About 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol

1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol (PubChem CID 2947522) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
PubChem CID2947522
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
SMILES[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1CC(O)COc1ccc(C)cc1
InChIInChI=1S/C24H25N3O2/c1-18-11-13-21(14-12-18)29-17-20(28)16-27-23-10-6-5-9-22(23)26(24(27)25)15-19-7-3-2-4-8-19/h2-14,20,25,28H,15-17H2,1H3/b25-24-
InChIKeyIVYCKUSKZRQYJC-IZHYLOQSSA-N
XLogP3.72
TPSA63.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol (CID 2947522) is 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol is [H]/N=c1/n(Cc2ccccc2)c2ccccc2n1CC(O)COc1ccc(C)cc1.
What is the InChIKey of 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is IVYCKUSKZRQYJC-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-11-13-21(14-12-18)29-17-20(28)16-27-23-10-6-5-9-22(23)26(24(27)25)15-19-7-3-2-4-8-19/h2-14,20,25,28H,15-17H2,1H3/b25-24-.
What are the key properties of 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol?
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 387.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 2947522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).