6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C22H14Cl2FN5O2 — CID 67291296

IUPAC6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(OCc3cc(F)cc(Cl)c3)cc2[nH]1)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C22H14Cl2FN5O2/c23-13-1-4-20-26-19(10-30(20)9-13)21(31)29-22-27-17-3-2-16(8-18(17)28-22)32-11-12-5-14(24)7-15(25)6-12/h1-10H,11H2,(H2,27,28,29,31)
InChIKeyMMAZBIQQPZRIBG-UHFFFAOYSA-N
MW470.29 g/mol
LogP5.49
Rot. Bonds5

About 6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67291296) has the molecular formula C22H14Cl2FN5O2 and a molecular weight of 470.29 g/mol. Its IUPAC name is 6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID67291296
Molecular FormulaC22H14Cl2FN5O2
Molecular Weight470.29 g/mol
Exact Mass469.05
IUPAC Name6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(OCc3cc(F)cc(Cl)c3)cc2[nH]1)c1cn2cc(Cl)ccc2n1
InChIInChI=1S/C22H14Cl2FN5O2/c23-13-1-4-20-26-19(10-30(20)9-13)21(31)29-22-27-17-3-2-16(8-18(17)28-22)32-11-12-5-14(24)7-15(25)6-12/h1-10H,11H2,(H2,27,28,29,31)
InChIKeyMMAZBIQQPZRIBG-UHFFFAOYSA-N
XLogP5.49
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.29
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-3-trifluoromethyl-phenyl)-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1H-benzimidazol-2-yl]-amine
CID 17755115
7-benzyl-8-[(6-ethoxy-1H-benzimidazol-2-yl)methyl]-3-ethylpurine-2,6-dione
CID 134262490
(4-(1H-benzo[d]imidazol-2-yl)piperazin-1-yl)(1-(3-methoxyphenyl)-2-p-tolyl-1H-imidazol-4-yl)methanone
CID 44578399
1-(3-chloro-4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-methyltriazole-4-carboxamide
CID 127030562
1-(3-chloro-4-fluorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)triazole-4-carboxamide
CID 127031449
1-(3-chloro-4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-(trifluoromethyl)triazole-4-carboxamide
CID 127032639
1-(3-chloro-4-fluorophenyl)-5-methyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]triazole-4-carboxamide
CID 127034389
US9732075, Example 1.29
CID 124102303
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064453
2-{4-[2-(2-fluoro-5-trifluoromethyl-phenylamino)-1-methyl-1H-benzoimidazol-5-yloxy]-pyridin-2-yl}-5-trifluoromethyl-1H-imidazole-4-carboxylic acid ethyl ester
CID 16064600
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16065033
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16065174

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 67291296) is 6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(Nc1nc2ccc(OCc3cc(F)cc(Cl)c3)cc2[nH]1)c1cn2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is MMAZBIQQPZRIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FN5O2/c23-13-1-4-20-26-19(10-30(20)9-13)21(31)29-22-27-17-3-2-16(8-18(17)28-22)32-11-12-5-14(24)7-15(25)6-12/h1-10H,11H2,(H2,27,28,29,31).
What are the key properties of 6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 470.29 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[6-[(3-chloro-5-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67291296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).