1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

C22H23N3O2S — CID 78782747

IUPAC1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)Cn1c(NCc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H23N3O2S/c26-18(15-27-16-19-9-6-12-28-19)14-25-21-11-5-4-10-20(21)24-22(25)23-13-17-7-2-1-3-8-17/h1-12,18,26H,13-16H2,(H,23,24)
InChIKeySDTAYCOXKOQMPZ-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.29
Rot. Bonds9

About 1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 78782747) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID78782747
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)Cn1c(NCc2ccccc2)nc2ccccc21
InChIInChI=1S/C22H23N3O2S/c26-18(15-27-16-19-9-6-12-28-19)14-25-21-11-5-4-10-20(21)24-22(25)23-13-17-7-2-1-3-8-17/h1-12,18,26H,13-16H2,(H,23,24)
InChIKeySDTAYCOXKOQMPZ-UHFFFAOYSA-N
XLogP4.29
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1-phenoxyethyl)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 42933902
1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75432701
N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide
CID 32603232
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 46798047
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
N-[[1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide
CID 25348176
N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide
CID 25348175
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide
CID 140825038
1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86815395

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 78782747) is 1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(COCc1cccs1)Cn1c(NCc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is SDTAYCOXKOQMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-18(15-27-16-19-9-6-12-28-19)14-25-21-11-5-4-10-20(21)24-22(25)23-13-17-7-2-1-3-8-17/h1-12,18,26H,13-16H2,(H,23,24).
What are the key properties of 1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 393.51 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 78782747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).