3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

C25H28F3N5O2 — CID 42647002

IUPAC3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESCn1c(=O)[nH]c2ccc(CN3CCC(CC4CC4)(C(=O)NCc4cncc(C(F)(F)F)c4)C3)cc21
InChIInChI=1S/C25H28F3N5O2/c1-32-21-9-17(4-5-20(21)31-23(32)35)14-33-7-6-24(15-33,10-16-2-3-16)22(34)30-12-18-8-19(13-29-11-18)25(26,27)28/h4-5,8-9,11,13,16H,2-3,6-7,10,12,14-15H2,1H3,(H,30,34)(H,31,35)
InChIKeyPWTMTGVSMZNUCY-UHFFFAOYSA-N
MW487.53 g/mol
LogP3.59
Rot. Bonds7

About 3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide

3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 42647002) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
PubChem CID42647002
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC Name3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESCn1c(=O)[nH]c2ccc(CN3CCC(CC4CC4)(C(=O)NCc4cncc(C(F)(F)F)c4)C3)cc21
InChIInChI=1S/C25H28F3N5O2/c1-32-21-9-17(4-5-20(21)31-23(32)35)14-33-7-6-24(15-33,10-16-2-3-16)22(34)30-12-18-8-19(13-29-11-18)25(26,27)28/h4-5,8-9,11,13,16H,2-3,6-7,10,12,14-15H2,1H3,(H,30,34)(H,31,35)
InChIKeyPWTMTGVSMZNUCY-UHFFFAOYSA-N
XLogP3.59
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-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

3-acetamido-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)pyrrolidine-1-carboxamide
CID 45267724
3-(pyrrolidine-1-carbonyl)-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)piperidine-1-carboxamide
CID 45271111
N-[4-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510302
N-[4-[1-(1-methylpyrrolidine-3-carbonyl)piperidin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510498
N-[4-[1-(2,2-difluorocyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57511064
N-[4-[1-(2,2-dimethylcyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57511096
N-[6-[1-(1-methylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
CID 68751442
1-(2-fluorophenyl)-N-(5-oxo-1-(p-tolyl)pyrrolidin-3-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
CID 18580545
3-[1-[1-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 49864867
B3Gnt2-IN-1
CID 169494155
3-[(2R)-3,3-dimethylbutan-2-yl]-5-[(4S)-4-methyl-5-oxo-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-imidazol-2-yl]-1H-benzimidazol-2-one
CID 172446027
3-[(2R)-3,3-dimethylbutan-2-yl]-N-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 172446395

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide (CID 42647002) is 3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is Cn1c(=O)[nH]c2ccc(CN3CCC(CC4CC4)(C(=O)NCc4cncc(C(F)(F)F)c4)C3)cc21.
What is the InChIKey of 3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is PWTMTGVSMZNUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O2/c1-32-21-9-17(4-5-20(21)31-23(32)35)14-33-7-6-24(15-33,10-16-2-3-16)22(34)30-12-18-8-19(13-29-11-18)25(26,27)28/h4-5,8-9,11,13,16H,2-3,6-7,10,12,14-15H2,1H3,(H,30,34)(H,31,35).
What are the key properties of 3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide?
3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 487.53 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-[(3-methyl-2-oxo-1H-benzimidazol-5-yl)methyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42647002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).