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

C24H20Cl2FN5O2 — CID 56968486

IUPACN-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4ncc(Cl)cc4F)cc2[nH]1)OC(C)(C)C3
InChIInChI=1S/C24H20Cl2FN5O2/c1-11-5-4-6-15(26)18(11)30-23-29-17-8-13(20-14(19(17)31-23)9-24(2,3)34-20)22(33)32-21-16(27)7-12(25)10-28-21/h4-8,10H,9H2,1-3H3,(H,28,32,33)(H2,29,30,31)
InChIKeySMEQRNUNQHVJGM-UHFFFAOYSA-N
MW500.36 g/mol
LogP6.42
Rot. Bonds4

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

N-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56968486) has the molecular formula C24H20Cl2FN5O2 and a molecular weight of 500.36 g/mol. Its IUPAC name is N-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID56968486
Molecular FormulaC24H20Cl2FN5O2
Molecular Weight500.36 g/mol
Exact Mass499.10
IUPAC NameN-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4ncc(Cl)cc4F)cc2[nH]1)OC(C)(C)C3
InChIInChI=1S/C24H20Cl2FN5O2/c1-11-5-4-6-15(26)18(11)30-23-29-17-8-13(20-14(19(17)31-23)9-24(2,3)34-20)22(33)32-21-16(27)7-12(25)10-28-21/h4-8,10H,9H2,1-3H3,(H,28,32,33)(H2,29,30,31)
InChIKeySMEQRNUNQHVJGM-UHFFFAOYSA-N
XLogP6.42
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.36
LogP ≤ 56.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of N-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56968486) is N-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is Cc1cccc(Cl)c1Nc1nc2c3c(c(C(=O)Nc4ncc(Cl)cc4F)cc2[nH]1)OC(C)(C)C3.
What is the InChIKey of N-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is SMEQRNUNQHVJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FN5O2/c1-11-5-4-6-15(26)18(11)30-23-29-17-8-13(20-14(19(17)31-23)9-24(2,3)34-20)22(33)32-21-16(27)7-12(25)10-28-21/h4-8,10H,9H2,1-3H3,(H,28,32,33)(H2,29,30,31).
What are the key properties of N-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
N-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 500.36 g/mol, XLogP of 6.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-chloro-6-methylanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56968486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).