4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

C25H27N5O2 — CID 21037364

IUPAC4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(C(C)(C)C)cc2)n3C)ccn1
InChIInChI=1S/C25H27N5O2/c1-25(2,3)16-6-8-17(9-7-16)28-24-29-20-14-18(10-11-22(20)30(24)5)32-19-12-13-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)
InChIKeyBFYVTUFBMUDKGI-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.16
Rot. Bonds5

About 4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 21037364) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID21037364
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(C(C)(C)C)cc2)n3C)ccn1
InChIInChI=1S/C25H27N5O2/c1-25(2,3)16-6-8-17(9-7-16)28-24-29-20-14-18(10-11-22(20)30(24)5)32-19-12-13-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29)
InChIKeyBFYVTUFBMUDKGI-UHFFFAOYSA-N
XLogP5.16
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-({2-[(4-bromophenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 10217017
4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 22040598
4-((2-((4-chloro-3-(trifluoromethyl)phenyl)amino)-3H-benzimidazol-5-yl)oxy)-N-methyl-pyridine-2-carboxamide
CID 11167118
4-{[2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1-methyl-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11156649
4-{[2-({3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11489166
4-{[2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 17755116
N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(trifluoromethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 17755117
N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(1,1,2,2,2-pentafluoroethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 17755212
N-methyl-4-{[2-({3-[2-(pyrrolidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}pyridine-2-carboxamide
CID 17755213
4-({2-[(3-bromophenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037180
4-({2-[(4-bromophenyl)(ethyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037208
4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzodiazol-5-yl}oxy)-N,N-dimethylpyridine-2-carboxamide
CID 22040403

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 21037364) is 4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(C(C)(C)C)cc2)n3C)ccn1.
What is the InChIKey of 4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is BFYVTUFBMUDKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-25(2,3)16-6-8-17(9-7-16)28-24-29-20-14-18(10-11-22(20)30(24)5)32-19-12-13-27-21(15-19)23(31)26-4/h6-15H,1-5H3,(H,26,31)(H,28,29).
What are the key properties of 4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 21037364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).