N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide

C26H31FN4O3 — CID 45171482

IUPACN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
SMILESCOc1ccc(CC2(CCC(=O)N(C)Cc3nc4cc(C)c(C)cc4[nH]3)CCC(=O)N2)c(F)c1
InChIInChI=1S/C26H31FN4O3/c1-16-11-21-22(12-17(16)2)29-23(28-21)15-31(3)25(33)8-10-26(9-7-24(32)30-26)14-18-5-6-19(34-4)13-20(18)27/h5-6,11-13H,7-10,14-15H2,1-4H3,(H,28,29)(H,30,32)
InChIKeyMUILNNTWVJACAJ-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.96
Rot. Bonds8

About N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide

N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide (PubChem CID 45171482) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
PubChem CID45171482
Molecular FormulaC26H31FN4O3
Molecular Weight466.56 g/mol
Exact Mass466.24
IUPAC NameN-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
SMILESCOc1ccc(CC2(CCC(=O)N(C)Cc3nc4cc(C)c(C)cc4[nH]3)CCC(=O)N2)c(F)c1
InChIInChI=1S/C26H31FN4O3/c1-16-11-21-22(12-17(16)2)29-23(28-21)15-31(3)25(33)8-10-26(9-7-24(32)30-26)14-18-5-6-19(34-4)13-20(18)27/h5-6,11-13H,7-10,14-15H2,1-4H3,(H,28,29)(H,30,32)
InChIKeyMUILNNTWVJACAJ-UHFFFAOYSA-N
XLogP3.96
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide 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

Pimobendan
CID 4823
2-(4-(2-(2-fluoro-6-methoxyphenyl)-7-methyl-1H-benzo[d]imidazol-5-yl)piperidin-1-yl)-N-methylethanamine
CID 45487323
2-(4-(2-(4-fluoro-2-methoxyphenyl)-7-methyl-1H-benzo[d]imidazol-5-yl)piperidin-1-yl)-N-methylethanamine
CID 45487347
(E)-N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-(4-methoxy-phenyl)-acrylamide
CID 674471
3-(1H-benzimidazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 16195313
N-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 16371646
Pimobendan hydrochloride
CID 10126299
2-[4-(3-Diethylcarbamoyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10274172
N-(6-(2-(3-(2-methoxy-5-(trifluoromethyl)phenyl)ureido)ethyl)-1H-benzo[d]imidazol-2-yl)acetamide
CID 11235899
6-(2-(3-(2-methoxy-5-(trifluoromethyl)phenyl)ureido)ethyl)-N-methyl-1H-benzo[d]imidazole-2-carboxamide
CID 11407902
N-(6-(2-(3-(2-(pyrrolidin-2-ylmethoxy)-5-(trifluoromethyl)phenyl)ureido)ethyl)-1H-benzo[d]imidazol-2-yl)acetamide
CID 11477628
2-(4-(2-(1-acetylpiperidin-2-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11495159

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The IUPAC name of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide (CID 45171482) is N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide is COc1ccc(CC2(CCC(=O)N(C)Cc3nc4cc(C)c(C)cc4[nH]3)CCC(=O)N2)c(F)c1.
What is the InChIKey of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
The InChIKey is MUILNNTWVJACAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-16-11-21-22(12-17(16)2)29-23(28-21)15-31(3)25(33)8-10-26(9-7-24(32)30-26)14-18-5-6-19(34-4)13-20(18)27/h5-6,11-13H,7-10,14-15H2,1-4H3,(H,28,29)(H,30,32).
What are the key properties of N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide?
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide has a molecular weight of 466.56 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-3-[2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide is sourced from PubChem (CID 45171482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).