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

C23H17Cl2N5O2 — CID 69475182

IUPAC2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3[nH]c(Nc4c(Cl)cncc4Cl)nc3c3cc(C)oc23)cc1
InChIInChI=1S/C23H17Cl2N5O2/c1-11-3-5-13(6-4-11)27-22(31)15-8-18-19(14-7-12(2)32-21(14)15)29-23(28-18)30-20-16(24)9-26-10-17(20)25/h3-10H,1-2H3,(H,27,31)(H2,26,28,29,30)
InChIKeyKNDGCPVPMVKLEA-UHFFFAOYSA-N
MW466.33 g/mol
LogP6.62
Rot. Bonds4

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

2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 69475182) has the molecular formula C23H17Cl2N5O2 and a molecular weight of 466.33 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide
PubChem CID69475182
Molecular FormulaC23H17Cl2N5O2
Molecular Weight466.33 g/mol
Exact Mass465.08
IUPAC Name2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3[nH]c(Nc4c(Cl)cncc4Cl)nc3c3cc(C)oc23)cc1
InChIInChI=1S/C23H17Cl2N5O2/c1-11-3-5-13(6-4-11)27-22(31)15-8-18-19(14-7-12(2)32-21(14)15)29-23(28-18)30-20-16(24)9-26-10-17(20)25/h3-10H,1-2H3,(H,27,31)(H2,26,28,29,30)
InChIKeyKNDGCPVPMVKLEA-UHFFFAOYSA-N
XLogP6.62
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.33
LogP ≤ 56.62
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]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide (CID 69475182) is 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide is Cc1ccc(NC(=O)c2cc3[nH]c(Nc4c(Cl)cncc4Cl)nc3c3cc(C)oc23)cc1.
What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is KNDGCPVPMVKLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N5O2/c1-11-3-5-13(6-4-11)27-22(31)15-8-18-19(14-7-12(2)32-21(14)15)29-23(28-18)30-20-16(24)9-26-10-17(20)25/h3-10H,1-2H3,(H,27,31)(H2,26,28,29,30).
What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide?
2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 466.33 g/mol, XLogP of 6.62, 4 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]-7-methyl-N-(4-methylphenyl)-3H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 69475182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).