(2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

C20H29N3O2S — CID 129338591

IUPAC(2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCn1c([C@H]2CCCN2C[C@@H](O)COCc2cccs2)nc2c1CCCC2
InChIInChI=1S/C20H29N3O2S/c1-22-18-8-3-2-7-17(18)21-20(22)19-9-4-10-23(19)12-15(24)13-25-14-16-6-5-11-26-16/h5-6,11,15,19,24H,2-4,7-10,12-14H2,1H3/t15-,19-/m1/s1
InChIKeyNIEGFLCWOGPFPX-DNVCBOLYSA-N
MW375.54 g/mol
LogP3.08
Rot. Bonds7

About (2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

(2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 129338591) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID129338591
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name(2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCn1c([C@H]2CCCN2C[C@@H](O)COCc2cccs2)nc2c1CCCC2
InChIInChI=1S/C20H29N3O2S/c1-22-18-8-3-2-7-17(18)21-20(22)19-9-4-10-23(19)12-15(24)13-25-14-16-6-5-11-26-16/h5-6,11,15,19,24H,2-4,7-10,12-14H2,1H3/t15-,19-/m1/s1
InChIKeyNIEGFLCWOGPFPX-DNVCBOLYSA-N
XLogP3.08
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 100842036
(2R)-1-(3-methylphenoxy)-3-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 129477809
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 47053396
2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 128965274
(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]ethanol
CID 129477556
2-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 129475019
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
2-[[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 128978977
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 100842296
(2R)-1-(thiophen-2-ylmethoxy)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426024
N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 129343428
1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 111107422

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 129338591) is (2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is Cn1c([C@H]2CCCN2C[C@@H](O)COCc2cccs2)nc2c1CCCC2.
What is the InChIKey of (2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is NIEGFLCWOGPFPX-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-22-18-8-3-2-7-17(18)21-20(22)19-9-4-10-23(19)12-15(24)13-25-14-16-6-5-11-26-16/h5-6,11,15,19,24H,2-4,7-10,12-14H2,1H3/t15-,19-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
(2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 375.54 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 129338591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).