1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol

C24H27N3O2 — CID 90755109

IUPAC1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN1c2ccccc2N(Cc2ccccc2)C1N
InChIInChI=1S/C24H27N3O2/c1-18-9-5-8-14-23(18)29-17-20(28)16-27-22-13-7-6-12-21(22)26(24(27)25)15-19-10-3-2-4-11-19/h2-14,20,24,28H,15-17,25H2,1H3
InChIKeyFUMUKIOWZJUNRE-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.50
Rot. Bonds7

About 1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol

1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol (PubChem CID 90755109) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
PubChem CID90755109
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CN1c2ccccc2N(Cc2ccccc2)C1N
InChIInChI=1S/C24H27N3O2/c1-18-9-5-8-14-23(18)29-17-20(28)16-27-22-13-7-6-12-21(22)26(24(27)25)15-19-10-3-2-4-11-19/h2-14,20,24,28H,15-17,25H2,1H3
InChIKeyFUMUKIOWZJUNRE-UHFFFAOYSA-N
XLogP3.50
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

dibenzyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium
CID 5040154
(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 11901367
1-(2-benzylpyrrolidin-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 134033749
1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 3747865
1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877241
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
CID 2884521
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol (CID 90755109) is 1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CN1c2ccccc2N(Cc2ccccc2)C1N.
What is the InChIKey of 1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is FUMUKIOWZJUNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18-9-5-8-14-23(18)29-17-20(28)16-27-22-13-7-6-12-21(22)26(24(27)25)15-19-10-3-2-4-11-19/h2-14,20,24,28H,15-17,25H2,1H3.
What are the key properties of 1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol?
1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 389.50 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-benzyl-2H-benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 90755109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).