2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide

C24H17Cl2FN4O2 — CID 67503084

IUPAC2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c(o1)c(C(=O)NCc1ccc(F)cc1)cc1[nH]c(Nc3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C24H17Cl2FN4O2/c1-12-9-15-20-19(29-24(30-20)31-21-17(25)3-2-4-18(21)26)10-16(22(15)33-12)23(32)28-11-13-5-7-14(27)8-6-13/h2-10H,11H2,1H3,(H,28,32)(H2,29,30,31)
InChIKeyVRIOQQYXILGHBB-UHFFFAOYSA-N
MW483.33 g/mol
LogP6.74
Rot. Bonds5

About 2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 67503084) has the molecular formula C24H17Cl2FN4O2 and a molecular weight of 483.33 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
PubChem CID67503084
Molecular FormulaC24H17Cl2FN4O2
Molecular Weight483.33 g/mol
Exact Mass482.07
IUPAC Name2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c(o1)c(C(=O)NCc1ccc(F)cc1)cc1[nH]c(Nc3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C24H17Cl2FN4O2/c1-12-9-15-20-19(29-24(30-20)31-21-17(25)3-2-4-18(21)26)10-16(22(15)33-12)23(32)28-11-13-5-7-14(27)8-6-13/h2-10H,11H2,1H3,(H,28,32)(H2,29,30,31)
InChIKeyVRIOQQYXILGHBB-UHFFFAOYSA-N
XLogP6.74
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.33
LogP ≤ 56.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide (CID 67503084) is 2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide is Cc1cc2c(o1)c(C(=O)NCc1ccc(F)cc1)cc1[nH]c(Nc3c(Cl)cccc3Cl)nc12.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is VRIOQQYXILGHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN4O2/c1-12-9-15-20-19(29-24(30-20)31-21-17(25)3-2-4-18(21)26)10-16(22(15)33-12)23(32)28-11-13-5-7-14(27)8-6-13/h2-10H,11H2,1H3,(H,28,32)(H2,29,30,31).
What are the key properties of 2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 483.33 g/mol, XLogP of 6.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 67503084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).