N-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide

C25H22N4O2 — CID 170948335

IUPACN-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide
SMILESCc1cncc(-c2nc3cc(C(=O)N/C=C4\CCOc5ccccc54)ccc3n2C)c1
InChIInChI=1S/C25H22N4O2/c1-16-11-19(14-26-13-16)24-28-21-12-17(7-8-22(21)29(24)2)25(30)27-15-18-9-10-31-23-6-4-3-5-20(18)23/h3-8,11-15H,9-10H2,1-2H3,(H,27,30)/b18-15+
InChIKeyHJLQUMORCOQXSL-OBGWFSINSA-N
MW410.48 g/mol
LogP4.50
Rot. Bonds3

About N-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide

N-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide (PubChem CID 170948335) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide
PubChem CID170948335
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide
SMILESCc1cncc(-c2nc3cc(C(=O)N/C=C4\CCOc5ccccc54)ccc3n2C)c1
InChIInChI=1S/C25H22N4O2/c1-16-11-19(14-26-13-16)24-28-21-12-17(7-8-22(21)29(24)2)25(30)27-15-18-9-10-31-23-6-4-3-5-20(18)23/h3-8,11-15H,9-10H2,1-2H3,(H,27,30)/b18-15+
InChIKeyHJLQUMORCOQXSL-OBGWFSINSA-N
XLogP4.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide (CID 170948335) is N-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide is Cc1cncc(-c2nc3cc(C(=O)N/C=C4\CCOc5ccccc54)ccc3n2C)c1.
What is the InChIKey of N-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide?
The InChIKey is HJLQUMORCOQXSL-OBGWFSINSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-16-11-19(14-26-13-16)24-28-21-12-17(7-8-22(21)29(24)2)25(30)27-15-18-9-10-31-23-6-4-3-5-20(18)23/h3-8,11-15H,9-10H2,1-2H3,(H,27,30)/b18-15+.
What are the key properties of N-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide?
N-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydrochromen-4-ylidenemethyl]-1-methyl-2-(5-methyl-3-pyridinyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 170948335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).