(2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide

C20H26N4O — CID 129488832

IUPAC(2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide
SMILESCc1nc2c(n1[C@@H]1CCN([C@H](C(N)=O)c3ccccc3)C1)CCCC2
InChIInChI=1S/C20H26N4O/c1-14-22-17-9-5-6-10-18(17)24(14)16-11-12-23(13-16)19(20(21)25)15-7-3-2-4-8-15/h2-4,7-8,16,19H,5-6,9-13H2,1H3,(H2,21,25)/t16-,19+/m1/s1
InChIKeyAMFYWZGLMARCLO-APWZRJJASA-N
MW338.45 g/mol
LogP2.54
Rot. Bonds4

About (2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide

(2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide (PubChem CID 129488832) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide
PubChem CID129488832
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide
SMILESCc1nc2c(n1[C@@H]1CCN([C@H](C(N)=O)c3ccccc3)C1)CCCC2
InChIInChI=1S/C20H26N4O/c1-14-22-17-9-5-6-10-18(17)24(14)16-11-12-23(13-16)19(20(21)25)15-7-3-2-4-8-15/h2-4,7-8,16,19H,5-6,9-13H2,1H3,(H2,21,25)/t16-,19+/m1/s1
InChIKeyAMFYWZGLMARCLO-APWZRJJASA-N
XLogP2.54
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 129473090
(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-phenylacetamide
CID 98752121
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-2-phenylacetamide
CID 71872576
methyl 3-[[2-[3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]acetyl]amino]benzoate
CID 119034401
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
2-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenylacetamide
CID 71932713
(2R)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenylacetamide
CID 94571895
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
2-(3-ethoxypiperidin-1-yl)-2-phenylacetamide
CID 47411464
4-[(3S)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 129489315
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide (CID 129488832) is (2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide is Cc1nc2c(n1[C@@H]1CCN([C@H](C(N)=O)c3ccccc3)C1)CCCC2.
What is the InChIKey of (2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide?
The InChIKey is AMFYWZGLMARCLO-APWZRJJASA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-22-17-9-5-6-10-18(17)24(14)16-11-12-23(13-16)19(20(21)25)15-7-3-2-4-8-15/h2-4,7-8,16,19H,5-6,9-13H2,1H3,(H2,21,25)/t16-,19+/m1/s1.
What are the key properties of (2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide?
(2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide has a molecular weight of 338.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-3-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrrolidin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 129488832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).