2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C23H18Cl2FN5O2 — CID 56970893

IUPAC2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)Nc3ccc(Cl)cn3)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1
InChIInChI=1S/C23H18Cl2FN5O2/c1-23(2)9-13-18-16(28-22(30-18)31-19-14(25)4-3-5-15(19)26)8-12(20(13)33-23)21(32)29-17-7-6-11(24)10-27-17/h3-8,10H,9H2,1-2H3,(H,27,29,32)(H2,28,30,31)
InChIKeyYZCYOVCVSFFIAH-UHFFFAOYSA-N
MW486.33 g/mol
LogP6.11
Rot. Bonds4

About 2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56970893) has the molecular formula C23H18Cl2FN5O2 and a molecular weight of 486.33 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID56970893
Molecular FormulaC23H18Cl2FN5O2
Molecular Weight486.33 g/mol
Exact Mass485.08
IUPAC Name2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)Nc3ccc(Cl)cn3)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1
InChIInChI=1S/C23H18Cl2FN5O2/c1-23(2)9-13-18-16(28-22(30-18)31-19-14(25)4-3-5-15(19)26)8-12(20(13)33-23)21(32)29-17-7-6-11(24)10-27-17/h3-8,10H,9H2,1-2H3,(H,27,29,32)(H2,28,30,31)
InChIKeyYZCYOVCVSFFIAH-UHFFFAOYSA-N
XLogP6.11
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.33
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 67503482
(Z)-but-2-enedioic acid;2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 67503578
2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,6-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56970655
2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969599
2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969811
methyl 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate
CID 67503514
methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate
CID 67504026
N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
CID 67504376
5-chloro-N-(2-chloro-6-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924765
7-(2-chloro-6-fluoroanilino)-2-cyclopropyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxylic acid
CID 67502992
2-[(3,5-dichloro-4-pyridinyl)amino]-1,7,7-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-8H-furo[3,2-e]benzimidazole-5-carboxamide
CID 67502798
2-(2,6-dichloroanilino)-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-1,2,3,8-tetrahydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 67504003

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56970893) is 2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is CC1(C)Cc2c(c(C(=O)Nc3ccc(Cl)cn3)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1.
What is the InChIKey of 2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is YZCYOVCVSFFIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FN5O2/c1-23(2)9-13-18-16(28-22(30-18)31-19-14(25)4-3-5-15(19)26)8-12(20(13)33-23)21(32)29-17-7-6-11(24)10-27-17/h3-8,10H,9H2,1-2H3,(H,27,29,32)(H2,28,30,31).
What are the key properties of 2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 486.33 g/mol, XLogP of 6.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56970893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).