N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide

C31H29N5O3 — CID 66579632

IUPACN-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)n(C[C@H]3CCN(C(=O)c4cc(C)no4)C3)c2c1
InChIInChI=1S/C31H29N5O3/c1-20-16-28(39-34-20)31(38)35-15-14-21(18-35)19-36-27-17-25(30(37)32-2)12-13-26(27)33-29(36)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-13,16-17,21H,14-15,18-19H2,1-2H3,(H,32,37)/t21-/m0/s1
InChIKeyOWRQVHAMDQXOPV-NRFANRHFSA-N
MW519.61 g/mol
LogP5.19
Rot. Bonds6

About N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide

N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide (PubChem CID 66579632) has the molecular formula C31H29N5O3 and a molecular weight of 519.61 g/mol. Its IUPAC name is N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide
PubChem CID66579632
Molecular FormulaC31H29N5O3
Molecular Weight519.61 g/mol
Exact Mass519.23
IUPAC NameN-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)n(C[C@H]3CCN(C(=O)c4cc(C)no4)C3)c2c1
InChIInChI=1S/C31H29N5O3/c1-20-16-28(39-34-20)31(38)35-15-14-21(18-35)19-36-27-17-25(30(37)32-2)12-13-26(27)33-29(36)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-13,16-17,21H,14-15,18-19H2,1-2H3,(H,32,37)/t21-/m0/s1
InChIKeyOWRQVHAMDQXOPV-NRFANRHFSA-N
XLogP5.19
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.61
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide (CID 66579632) is N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide is CNC(=O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)n(C[C@H]3CCN(C(=O)c4cc(C)no4)C3)c2c1.
What is the InChIKey of N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide?
The InChIKey is OWRQVHAMDQXOPV-NRFANRHFSA-N. The full InChI is InChI=1S/C31H29N5O3/c1-20-16-28(39-34-20)31(38)35-15-14-21(18-35)19-36-27-17-25(30(37)32-2)12-13-26(27)33-29(36)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-13,16-17,21H,14-15,18-19H2,1-2H3,(H,32,37)/t21-/m0/s1.
What are the key properties of N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide?
N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide has a molecular weight of 519.61 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[(3R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]methyl]-2-(4-phenylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 66579632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).