4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide

C23H22ClN5O4 — CID 22041213

IUPAC4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide
SMILESCn1c(Nc2ccc(Cl)cc2)nc2cc(Oc3ccnc(C(=O)NCC(O)CO)c3)ccc21
InChIInChI=1S/C23H22ClN5O4/c1-29-21-7-6-17(10-19(21)28-23(29)27-15-4-2-14(24)3-5-15)33-18-8-9-25-20(11-18)22(32)26-12-16(31)13-30/h2-11,16,30-31H,12-13H2,1H3,(H,26,32)(H,27,28)
InChIKeyBGKCBCARHDEFJG-UHFFFAOYSA-N
MW467.91 g/mol
LogP3.24
Rot. Bonds8

About 4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide

4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide (PubChem CID 22041213) has the molecular formula C23H22ClN5O4 and a molecular weight of 467.91 g/mol. Its IUPAC name is 4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide
PubChem CID22041213
Molecular FormulaC23H22ClN5O4
Molecular Weight467.91 g/mol
Exact Mass467.14
IUPAC Name4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide
SMILESCn1c(Nc2ccc(Cl)cc2)nc2cc(Oc3ccnc(C(=O)NCC(O)CO)c3)ccc21
InChIInChI=1S/C23H22ClN5O4/c1-29-21-7-6-17(10-19(21)28-23(29)27-15-4-2-14(24)3-5-15)33-18-8-9-25-20(11-18)22(32)26-12-16(31)13-30/h2-11,16,30-31H,12-13H2,1H3,(H,26,32)(H,27,28)
InChIKeyBGKCBCARHDEFJG-UHFFFAOYSA-N
XLogP3.24
TPSA121.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2R)-2-aminopropyl]-4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide
CID 21037084
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen
CID 158503774
5-[(2-amino-4-pyridinyl)oxy]-N-(4-chlorophenyl)-1-methylbenzimidazol-2-amine
CID 69290969
N-methyl-4-[1-methyl-2-[4-(propan-2-ylcarbamoyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040471
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
4-[2-[4-chloro-3-(2-oxopropyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 158016312
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
4-[2-(4-ethylanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
CID 21037272
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 22041012
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 22040413
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridine-2-carboxamide
CID 22040922

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide (CID 22041213) is 4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide is Cn1c(Nc2ccc(Cl)cc2)nc2cc(Oc3ccnc(C(=O)NCC(O)CO)c3)ccc21.
What is the InChIKey of 4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide?
The InChIKey is BGKCBCARHDEFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O4/c1-29-21-7-6-17(10-19(21)28-23(29)27-15-4-2-14(24)3-5-15)33-18-8-9-25-20(11-18)22(32)26-12-16(31)13-30/h2-11,16,30-31H,12-13H2,1H3,(H,26,32)(H,27,28).
What are the key properties of 4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide?
4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide has a molecular weight of 467.91 g/mol, XLogP of 3.24, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloroanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2,3-dihydroxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 22041213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).