(2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide

C20H30N4O — CID 125421685

IUPAC(2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC[C@@H]1[C@@H](C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)CCN1C
InChIInChI=1S/C20H30N4O/c1-6-17-15(11-12-23(17)5)20(25)21-14(4)19-22-16-9-7-8-10-18(16)24(19)13(2)3/h7-10,13-15,17H,6,11-12H2,1-5H3,(H,21,25)/t14-,15+,17-/m1/s1
InChIKeyGVUMLVCVGHLFCL-HLLBOEOZSA-N
MW342.49 g/mol
LogP3.52
Rot. Bonds5

About (2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide

(2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 125421685) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID125421685
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC[C@@H]1[C@@H](C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)CCN1C
InChIInChI=1S/C20H30N4O/c1-6-17-15(11-12-23(17)5)20(25)21-14(4)19-22-16-9-7-8-10-18(16)24(19)13(2)3/h7-10,13-15,17H,6,11-12H2,1-5H3,(H,21,25)/t14-,15+,17-/m1/s1
InChIKeyGVUMLVCVGHLFCL-HLLBOEOZSA-N
XLogP3.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 119890737
N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 751172
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 4592510
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 119186029
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685706
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16969632
N-[2-[[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 41200270
N-[2-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17466097
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide
CID 154762835
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942310
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 86858410
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide (CID 125421685) is (2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide is CC[C@@H]1[C@@H](C(=O)N[C@H](C)c2nc3ccccc3n2C(C)C)CCN1C.
What is the InChIKey of (2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is GVUMLVCVGHLFCL-HLLBOEOZSA-N. The full InChI is InChI=1S/C20H30N4O/c1-6-17-15(11-12-23(17)5)20(25)21-14(4)19-22-16-9-7-8-10-18(16)24(19)13(2)3/h7-10,13-15,17H,6,11-12H2,1-5H3,(H,21,25)/t14-,15+,17-/m1/s1.
What are the key properties of (2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
(2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-1-methyl-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 125421685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).