(2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol

C20H24ClN3OS — CID 135304119

IUPAC(2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol
SMILESCc1cscc1-c1cc(Cl)cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c12
InChIInChI=1S/C20H24ClN3OS/c1-13-10-26-11-16(13)15-8-14(21)9-18-20(15)24(12-23-18)7-3-4-17-19(25)5-2-6-22-17/h8-12,17,19,22,25H,2-7H2,1H3/t17-,19+/m1/s1
InChIKeyFSJDPTZLJNUYLQ-MJGOQNOKSA-N
MW389.95 g/mol
LogP4.62
Rot. Bonds5

About (2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol

(2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol (PubChem CID 135304119) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is (2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol
PubChem CID135304119
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC Name(2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol
SMILESCc1cscc1-c1cc(Cl)cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c12
InChIInChI=1S/C20H24ClN3OS/c1-13-10-26-11-16(13)15-8-14(21)9-18-20(15)24(12-23-18)7-3-4-17-19(25)5-2-6-22-17/h8-12,17,19,22,25H,2-7H2,1H3/t17-,19+/m1/s1
InChIKeyFSJDPTZLJNUYLQ-MJGOQNOKSA-N
XLogP4.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane
CID 158060116
(2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol
CID 135304685
(2R,3S)-2-[3-(5-chloro-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 135304282
5-[6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]benzimidazol-4-yl]-1-methylpyridin-2-one
CID 135304121
(2R,3S)-2-[3-(5-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304185
(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol
CID 135304307
2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304147
(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746476
(2R,3S)-2-[3-(7-chloro-4-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304233
(2R,3S)-2-[3-(5,6-dibromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304190
(2R,3S)-2-[3-[7-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;dihydrochloride
CID 142746342
(2R,3S)-2-[3-(6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 142411668

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol (CID 135304119) is (2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol is Cc1cscc1-c1cc(Cl)cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c12.
What is the InChIKey of (2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The InChIKey is FSJDPTZLJNUYLQ-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H24ClN3OS/c1-13-10-26-11-16(13)15-8-14(21)9-18-20(15)24(12-23-18)7-3-4-17-19(25)5-2-6-22-17/h8-12,17,19,22,25H,2-7H2,1H3/t17-,19+/m1/s1.
What are the key properties of (2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol?
(2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol has a molecular weight of 389.95 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[3-[5-chloro-7-(4-methylthiophen-3-yl)benzimidazol-1-yl]propyl]piperidin-3-ol is sourced from PubChem (CID 135304119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).