tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate

C19H26N4O3 — CID 78806775

IUPACtert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCC(NC(=O)C1CCCN1C(=O)OC(C)(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H26N4O3/c1-12(16-21-13-8-5-6-9-14(13)22-16)20-17(24)15-10-7-11-23(15)18(25)26-19(2,3)4/h5-6,8-9,12,15H,7,10-11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyIHWWTAOAZYSBSG-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.14
Rot. Bonds3

About tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate

tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate (PubChem CID 78806775) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
PubChem CID78806775
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Nametert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
SMILESCC(NC(=O)C1CCCN1C(=O)OC(C)(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H26N4O3/c1-12(16-21-13-8-5-6-9-14(13)22-16)20-17(24)15-10-7-11-23(15)18(25)26-19(2,3)4/h5-6,8-9,12,15H,7,10-11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyIHWWTAOAZYSBSG-UHFFFAOYSA-N
XLogP3.14
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate 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

(2S)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95331098
(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95331095
tert-butyl 4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39966598
tert-butyl (2R)-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 35704649
tert-butyl (2S)-2-[3-[[(1R)-1-(1H-benzimidazol-2-yl)propyl]amino]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 97245921
tert-butyl (2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 51968674
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate
CID 95179847
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide
CID 124620774
tert-butyl 2-(1H-benzimidazol-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71631416
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
tert-butyl 2-(3-methylbutan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 73237927

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate (CID 78806775) is tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate is CC(NC(=O)C1CCCN1C(=O)OC(C)(C)C)c1nc2ccccc2[nH]1.
What is the InChIKey of tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is IHWWTAOAZYSBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12(16-21-13-8-5-6-9-14(13)22-16)20-17(24)15-10-7-11-23(15)18(25)26-19(2,3)4/h5-6,8-9,12,15H,7,10-11H2,1-4H3,(H,20,24)(H,21,22).
What are the key properties of tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 78806775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).