4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide

C24H25N5O2 — CID 21037188

IUPAC4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
SMILESCCc1cccc(Nc2nc3cc(Oc4ccnc(C(=O)N(C)C)c4)ccc3n2C)c1
InChIInChI=1S/C24H25N5O2/c1-5-16-7-6-8-17(13-16)26-24-27-20-14-18(9-10-22(20)29(24)4)31-19-11-12-25-21(15-19)23(30)28(2)3/h6-15H,5H2,1-4H3,(H,26,27)
InChIKeyMWCFJRRBCCQFDA-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.77
Rot. Bonds6

About 4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide

4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide (PubChem CID 21037188) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
PubChem CID21037188
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
SMILESCCc1cccc(Nc2nc3cc(Oc4ccnc(C(=O)N(C)C)c4)ccc3n2C)c1
InChIInChI=1S/C24H25N5O2/c1-5-16-7-6-8-17(13-16)26-24-27-20-14-18(9-10-22(20)29(24)4)31-19-11-12-25-21(15-19)23(30)28(2)3/h6-15H,5H2,1-4H3,(H,26,27)
InChIKeyMWCFJRRBCCQFDA-UHFFFAOYSA-N
XLogP4.77
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide (CID 21037188) is 4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide is CCc1cccc(Nc2nc3cc(Oc4ccnc(C(=O)N(C)C)c4)ccc3n2C)c1.
What is the InChIKey of 4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is MWCFJRRBCCQFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-5-16-7-6-8-17(13-16)26-24-27-20-14-18(9-10-22(20)29(24)4)31-19-11-12-25-21(15-19)23(30)28(2)3/h6-15H,5H2,1-4H3,(H,26,27).
What are the key properties of 4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 21037188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).