2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide

C23H18Cl2FN5O2 — CID 67503329

IUPAC2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c3c(cc(C(=O)NCc4ccc(F)cc4)c2o1)NC(Nc1c(Cl)cncc1Cl)N3
InChIInChI=1S/C23H18Cl2FN5O2/c1-11-6-14-19-18(29-23(30-19)31-20-16(24)9-27-10-17(20)25)7-15(21(14)33-11)22(32)28-8-12-2-4-13(26)5-3-12/h2-7,9-10,23,29-30H,8H2,1H3,(H,27,31)(H,28,32)
InChIKeyGNUFOBULMWPTGM-UHFFFAOYSA-N
MW486.33 g/mol
LogP5.75
Rot. Bonds5

About 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide

2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 67503329) has the molecular formula C23H18Cl2FN5O2 and a molecular weight of 486.33 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
PubChem CID67503329
Molecular FormulaC23H18Cl2FN5O2
Molecular Weight486.33 g/mol
Exact Mass485.08
IUPAC Name2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c3c(cc(C(=O)NCc4ccc(F)cc4)c2o1)NC(Nc1c(Cl)cncc1Cl)N3
InChIInChI=1S/C23H18Cl2FN5O2/c1-11-6-14-19-18(29-23(30-19)31-20-16(24)9-27-10-17(20)25)7-15(21(14)33-11)22(32)28-8-12-2-4-13(26)5-3-12/h2-7,9-10,23,29-30H,8H2,1H3,(H,27,31)(H,28,32)
InChIKeyGNUFOBULMWPTGM-UHFFFAOYSA-N
XLogP5.75
TPSA91.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.33
LogP ≤ 55.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide (CID 67503329) is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide is Cc1cc2c3c(cc(C(=O)NCc4ccc(F)cc4)c2o1)NC(Nc1c(Cl)cncc1Cl)N3.
What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is GNUFOBULMWPTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FN5O2/c1-11-6-14-19-18(29-23(30-19)31-20-16(24)9-27-10-17(20)25)7-15(21(14)33-11)22(32)28-8-12-2-4-13(26)5-3-12/h2-7,9-10,23,29-30H,8H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide?
2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 486.33 g/mol, XLogP of 5.75, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-2,3-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 67503329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).