benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

C26H24N4O3 — CID 69025750

IUPACbenzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(Nc1cccc(-c2ccc3nc[nH]c3c2)c1)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C26H24N4O3/c31-25(24-10-5-13-30(24)26(32)33-16-18-6-2-1-3-7-18)29-21-9-4-8-19(14-21)20-11-12-22-23(15-20)28-17-27-22/h1-4,6-9,11-12,14-15,17,24H,5,10,13,16H2,(H,27,28)(H,29,31)
InChIKeyUMCQWAZWQUWHLC-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.97
Rot. Bonds5

About benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 69025750) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID69025750
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Namebenzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESO=C(Nc1cccc(-c2ccc3nc[nH]c3c2)c1)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C26H24N4O3/c31-25(24-10-5-13-30(24)26(32)33-16-18-6-2-1-3-7-18)29-21-9-4-8-19(14-21)20-11-12-22-23(15-20)28-17-27-22/h1-4,6-9,11-12,14-15,17,24H,5,10,13,16H2,(H,27,28)(H,29,31)
InChIKeyUMCQWAZWQUWHLC-UHFFFAOYSA-N
XLogP4.97
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]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

benzyl 2-[(3-quinolin-3-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 69025072
benzyl (2S)-2-[[3-(4-methylsulfonylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582881
benzyl (2S)-2-[[3-(4-acetylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23581909
benzyl (2S)-2-[[3-(3-methoxyphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582416
benzyl (2S)-2-[[3-(1,3-benzodioxol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 23582878
benzyl (2S)-2-[[4-[3-[4-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]phenyl]-1H-pyrazol-5-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 58533215
benzyl 2-[[3-amino-5-(1H-indol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 69026310
benzyl 2-[[5-[4-(cyclopentanecarbonylamino)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 76582841
benzyl (2R)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 6958654
benzyl (2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 10109941
benzyl 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 84577175
benzyl 2-[[3-(2-oxochromen-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 76694205

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate (CID 69025750) is benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate is O=C(Nc1cccc(-c2ccc3nc[nH]c3c2)c1)C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is UMCQWAZWQUWHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-25(24-10-5-13-30(24)26(32)33-16-18-6-2-1-3-7-18)29-21-9-4-8-19(14-21)20-11-12-22-23(15-20)28-17-27-22/h1-4,6-9,11-12,14-15,17,24H,5,10,13,16H2,(H,27,28)(H,29,31).
What are the key properties of benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate?
benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[3-(3H-benzimidazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 69025750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).