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

C23H16Cl2FN5O2 — CID 67503326

IUPAC2-[(3,5-dichloro-4-pyridinyl)amino]-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)cncc3Cl)nc12
InChIInChI=1S/C23H16Cl2FN5O2/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/h2-7,9-10H,8H2,1H3,(H,28,32)(H2,27,29,30,31)
InChIKeySBHNLGPCLQHRKI-UHFFFAOYSA-N
MW484.32 g/mol
LogP6.13
Rot. Bonds5

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

2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 67503326) has the molecular formula C23H16Cl2FN5O2 and a molecular weight of 484.32 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
PubChem CID67503326
Molecular FormulaC23H16Cl2FN5O2
Molecular Weight484.32 g/mol
Exact Mass483.07
IUPAC Name2-[(3,5-dichloro-4-pyridinyl)amino]-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)cncc3Cl)nc12
InChIInChI=1S/C23H16Cl2FN5O2/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/h2-7,9-10H,8H2,1H3,(H,28,32)(H2,27,29,30,31)
InChIKeySBHNLGPCLQHRKI-UHFFFAOYSA-N
XLogP6.13
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.32
LogP ≤ 56.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide (CID 67503326) is 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-3H-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-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-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)cncc3Cl)nc12.
What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is SBHNLGPCLQHRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2FN5O2/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/h2-7,9-10H,8H2,1H3,(H,28,32)(H2,27,29,30,31).
What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
2-[(3,5-dichloro-4-pyridinyl)amino]-N-[(4-fluorophenyl)methyl]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 484.32 g/mol, XLogP of 6.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 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-3H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 67503326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).