(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C23H20N4O2S — CID 25334740

IUPAC(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C23H20N4O2S/c28-22(19-7-3-13-27(19)23(29)20-8-4-14-30-20)24-16-11-9-15(10-12-16)21-25-17-5-1-2-6-18(17)26-21/h1-2,4-6,8-12,14,19H,3,7,13H2,(H,24,28)(H,25,26)/t19-/m1/s1
InChIKeyLGLRMAYNCZWCOX-LJQANCHMSA-N
MW416.51 g/mol
LogP4.53
Rot. Bonds4

About (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 25334740) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID25334740
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C23H20N4O2S/c28-22(19-7-3-13-27(19)23(29)20-8-4-14-30-20)24-16-11-9-15(10-12-16)21-25-17-5-1-2-6-18(17)26-21/h1-2,4-6,8-12,14,19H,3,7,13H2,(H,24,28)(H,25,26)/t19-/m1/s1
InChIKeyLGLRMAYNCZWCOX-LJQANCHMSA-N
XLogP4.53
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide 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

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093436
(2S)-N-[4-(1,3-thiazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 9114837
(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 32953422
(2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42117230
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
(2S)-1-(2-phenylacetyl)-N-[4-[6-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]-1H-benzimidazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 66833562
(2R)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2089690
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844859
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24675292
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 72892284
(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 51924839

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 25334740) is (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is LGLRMAYNCZWCOX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-22(19-7-3-13-27(19)23(29)20-8-4-14-30-20)24-16-11-9-15(10-12-16)21-25-17-5-1-2-6-18(17)26-21/h1-2,4-6,8-12,14,19H,3,7,13H2,(H,24,28)(H,25,26)/t19-/m1/s1.
What are the key properties of (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 25334740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).