1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol

C24H32N4O2 — CID 2952649

IUPAC1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
SMILES[H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(O)COc1ccccc1C
InChIInChI=1S/C24H32N4O2/c1-19-9-3-6-12-23(19)30-18-20(29)17-28-22-11-5-4-10-21(22)27(24(28)25)16-15-26-13-7-2-8-14-26/h3-6,9-12,20,25,29H,2,7-8,13-18H2,1H3/b25-24+
InChIKeyJSWWJFBOMZWQSQ-OCOZRVBESA-N
MW408.55 g/mol
LogP3.16
Rot. Bonds8

About 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol

1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 2952649) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
PubChem CID2952649
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
SMILES[H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(O)COc1ccccc1C
InChIInChI=1S/C24H32N4O2/c1-19-9-3-6-12-23(19)30-18-20(29)17-28-22-11-5-4-10-21(22)27(24(28)25)16-15-26-13-7-2-8-14-26/h3-6,9-12,20,25,29H,2,7-8,13-18H2,1H3/b25-24+
InChIKeyJSWWJFBOMZWQSQ-OCOZRVBESA-N
XLogP3.16
TPSA66.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol with MolForge

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Related Compounds

(2S)-1-(3-butyl-2-iminobenzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 28875289
1-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 4872754
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
(2S)-1-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-3-phenoxypropan-2-ol
CID 1118371
hydron;1-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-3-(4-methylphenoxy)propan-2-ol;chloride
CID 655595
2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol
CID 2868077
1-(furan-2-yl)-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanol
CID 3130803
(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-(2-imino-3-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2947210
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
CID 2884521
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol chloride
CID 53314658

Frequently Asked Questions

What is the IUPAC name of 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol (CID 2952649) is 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol is [H]/N=c1\n(CCN2CCCCC2)c2ccccc2n1CC(O)COc1ccccc1C.
What is the InChIKey of 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is JSWWJFBOMZWQSQ-OCOZRVBESA-N. The full InChI is InChI=1S/C24H32N4O2/c1-19-9-3-6-12-23(19)30-18-20(29)17-28-22-11-5-4-10-21(22)27(24(28)25)16-15-26-13-7-2-8-14-26/h3-6,9-12,20,25,29H,2,7-8,13-18H2,1H3/b25-24+.
What are the key properties of 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol?
1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 408.55 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 2952649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).