3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol

C15H20N2OS — CID 79949801

IUPAC3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol
SMILESCCCn1c(CC2(O)CCSC2)nc2ccccc21
InChIInChI=1S/C15H20N2OS/c1-2-8-17-13-6-4-3-5-12(13)16-14(17)10-15(18)7-9-19-11-15/h3-6,18H,2,7-11H2,1H3
InChIKeyBTOOZYMPJXITPR-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.86
Rot. Bonds4

About 3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol

3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol (PubChem CID 79949801) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol
PubChem CID79949801
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol
SMILESCCCn1c(CC2(O)CCSC2)nc2ccccc21
InChIInChI=1S/C15H20N2OS/c1-2-8-17-13-6-4-3-5-12(13)16-14(17)10-15(18)7-9-19-11-15/h3-6,18H,2,7-11H2,1H3
InChIKeyBTOOZYMPJXITPR-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 103564206
3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823271
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
3-methyl-4-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-ol
CID 114501819
3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol
CID 79949803
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
1-(1-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanone
CID 115781900
2-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750412
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol?
The IUPAC name of 3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol (CID 79949801) is 3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol.
What is the SMILES notation for 3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol?
The canonical SMILES for 3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol is CCCn1c(CC2(O)CCSC2)nc2ccccc21.
What is the InChIKey of 3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol?
The InChIKey is BTOOZYMPJXITPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-8-17-13-6-4-3-5-12(13)16-14(17)10-15(18)7-9-19-11-15/h3-6,18H,2,7-11H2,1H3.
What are the key properties of 3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol?
3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol has a molecular weight of 276.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylbenzimidazol-2-yl)methyl]thiolan-3-ol is sourced from PubChem (CID 79949801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).