4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide

C25H26N6O2 — CID 22041089

IUPAC4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide
SMILESCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC5CCNC5)c4)ccc3n2C)cc1
InChIInChI=1S/C25H26N6O2/c1-16-3-5-17(6-4-16)29-25-30-21-13-19(7-8-23(21)31(25)2)33-20-10-12-27-22(14-20)24(32)28-18-9-11-26-15-18/h3-8,10,12-14,18,26H,9,11,15H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyBQNSXBMJBVHQCN-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.90
Rot. Bonds6

About 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide

4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide (PubChem CID 22041089) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide
PubChem CID22041089
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide
SMILESCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC5CCNC5)c4)ccc3n2C)cc1
InChIInChI=1S/C25H26N6O2/c1-16-3-5-17(6-4-16)29-25-30-21-13-19(7-8-23(21)31(25)2)33-20-10-12-27-22(14-20)24(32)28-18-9-11-26-15-18/h3-8,10,12-14,18,26H,9,11,15H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyBQNSXBMJBVHQCN-UHFFFAOYSA-N
XLogP3.90
TPSA93.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-bromo-3-fluoroanilino)-1-methylbenzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 22040396
4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide
CID 58665180
4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide;methane
CID 161269377
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide
CID 22040922
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 22040413
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
4-[[2-(4-bromoanilino)-1,3-benzothiazol-5-yl]oxy]-N-[(3R)-pyrrolidin-3-yl]pyridine-2-carboxamide
CID 21037089
N-(1-methylpiperidin-4-yl)-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 161392104
4-[1-methyl-2-(4-methyl-3-thiophen-2-ylanilino)benzimidazol-5-yl]oxy-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide;molecular hydrogen
CID 159034213
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
4-[2-[4-(3,5-dimethylpiperazine-1-carbonyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040910

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The IUPAC name of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide (CID 22041089) is 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide is Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NC5CCNC5)c4)ccc3n2C)cc1.
What is the InChIKey of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The InChIKey is BQNSXBMJBVHQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-3-5-17(6-4-16)29-25-30-21-13-19(7-8-23(21)31(25)2)33-20-10-12-27-22(14-20)24(32)28-18-9-11-26-15-18/h3-8,10,12-14,18,26H,9,11,15H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide?
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-pyrrolidin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 22041089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).