(2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone

C20H21N3OS — CID 25334103

IUPAC(2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESCn1c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H21N3OS/c1-22-17-12-6-5-11-16(17)21-20(22)25-18(15-9-3-2-4-10-15)19(24)23-13-7-8-14-23/h2-6,9-12,18H,7-8,13-14H2,1H3/t18-/m1/s1
InChIKeyNBXHRAAISVRXEP-GOSISDBHSA-N
MW351.48 g/mol
LogP4.03
Rot. Bonds4

About (2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone

(2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone (PubChem CID 25334103) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is (2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
PubChem CID25334103
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name(2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESCn1c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H21N3OS/c1-22-17-12-6-5-11-16(17)21-20(22)25-18(15-9-3-2-4-10-15)19(24)23-13-7-8-14-23/h2-6,9-12,18H,7-8,13-14H2,1H3/t18-/m1/s1
InChIKeyNBXHRAAISVRXEP-GOSISDBHSA-N
XLogP4.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
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ethyl 2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenylacetate
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3-methyl-2-(2-morpholin-4-yl-2-oxo-1-phenylethyl)sulfanylquinazolin-4-one
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3-ethyl-2-[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 7702486
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 9362571
1-(azocan-1-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
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2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 42886339
(2R)-2-(1-tert-butyltetrazol-5-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 27046494
3-cyclopropyl-2-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]sulfanylquinazolin-4-one
CID 8981712
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 7696703
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of (2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone (CID 25334103) is (2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for (2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for (2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone is Cn1c(S[C@@H](C(=O)N2CCCC2)c2ccccc2)nc2ccccc21.
What is the InChIKey of (2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is NBXHRAAISVRXEP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-22-17-12-6-5-11-16(17)21-20(22)25-18(15-9-3-2-4-10-15)19(24)23-13-7-8-14-23/h2-6,9-12,18H,7-8,13-14H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone?
(2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 351.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 25334103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).