1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol

C23H23N3O2 — CID 658293

IUPAC1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
SMILES[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1CC(O)COc1ccccc1
InChIInChI=1S/C23H23N3O2/c24-23-25(15-18-9-3-1-4-10-18)21-13-7-8-14-22(21)26(23)16-19(27)17-28-20-11-5-2-6-12-20/h1-14,19,24,27H,15-17H2/b24-23-
InChIKeyYLKDCSKJNOKCGZ-VHXPQNKSSA-N
MW373.46 g/mol
LogP3.41
Rot. Bonds7

About 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol

1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol (PubChem CID 658293) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
PubChem CID658293
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
SMILES[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1CC(O)COc1ccccc1
InChIInChI=1S/C23H23N3O2/c24-23-25(15-18-9-3-1-4-10-18)21-13-7-8-14-22(21)26(23)16-19(27)17-28-20-11-5-2-6-12-20/h1-14,19,24,27H,15-17H2/b24-23-
InChIKeyYLKDCSKJNOKCGZ-VHXPQNKSSA-N
XLogP3.41
TPSA63.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2-imino-3-methylbenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 745112
(2S)-1-(2-imino-3-methylbenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 745110
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;2,2,2-trifluoroacetic acid
CID 51003775
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol chloride
CID 53314658
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(4-bromo-3-methylphenoxy)propan-2-ol
CID 51003780
1-[3-[(4-bromophenyl)methyl]-2-iminobenzimidazol-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 46241494
(2S)-1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 1306397
(2R)-1-(3-heptyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 98123592
(2R)-1-(4-chlorophenoxy)-3-(3-ethyl-2-iminobenzimidazol-1-yl)propan-2-ol
CID 828194
(2S)-1-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-3-phenoxypropan-2-ol
CID 1118371
(2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 1118373
1-(4-chlorophenoxy)-3-(2-imino-3-prop-2-enylbenzimidazol-1-yl)propan-2-ol
CID 2858826

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol (CID 658293) is 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol is [H]/N=c1/n(Cc2ccccc2)c2ccccc2n1CC(O)COc1ccccc1.
What is the InChIKey of 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol?
The InChIKey is YLKDCSKJNOKCGZ-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-23-25(15-18-9-3-1-4-10-18)21-13-7-8-14-22(21)26(23)16-19(27)17-28-20-11-5-2-6-12-20/h1-14,19,24,27H,15-17H2/b24-23-.
What are the key properties of 1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol?
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol has a molecular weight of 373.46 g/mol, XLogP of 3.41, 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-phenoxypropan-2-ol is sourced from PubChem (CID 658293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).