4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol

C15H23N3O2S — CID 64927743

IUPAC4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CSc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C15H23N3O2S/c1-3-7-16-11(6-8-19)10-21-15-17-13-5-4-12(20-2)9-14(13)18-15/h4-5,9,11,16,19H,3,6-8,10H2,1-2H3,(H,17,18)
InChIKeyYHSMRTRDFAWMRL-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.41
Rot. Bonds9

About 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol

4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol (PubChem CID 64927743) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol
PubChem CID64927743
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CSc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C15H23N3O2S/c1-3-7-16-11(6-8-19)10-21-15-17-13-5-4-12(20-2)9-14(13)18-15/h4-5,9,11,16,19H,3,6-8,10H2,1-2H3,(H,17,18)
InChIKeyYHSMRTRDFAWMRL-UHFFFAOYSA-N
XLogP2.41
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propylamino)propan-1-ol
CID 64821086
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(propan-2-ylamino)propan-1-ol
CID 64806817
N-ethyl-1-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-amine
CID 107511303
1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine
CID 107511384
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-(ethylamino)propan-1-ol
CID 64820422
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentan-1-ol
CID 62229190
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3,3-dimethylbutan-2-ol
CID 3439655
N-(cyclopropylmethyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamine
CID 62583195
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylpropan-1-amine
CID 61386487
N-ethyl-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]hexan-2-amine
CID 64647947

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol?
The IUPAC name of 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol (CID 64927743) is 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol is CCCNC(CCO)CSc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol?
The InChIKey is YHSMRTRDFAWMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-7-16-11(6-8-19)10-21-15-17-13-5-4-12(20-2)9-14(13)18-15/h4-5,9,11,16,19H,3,6-8,10H2,1-2H3,(H,17,18).
What are the key properties of 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol?
4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol has a molecular weight of 309.44 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64927743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).