2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole

C22H19N3O2 — CID 46881928

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole
SMILESCOc1c(-c2ccncc2)ccc2[nH]c(C3COc4ccccc4C3)nc12
InChIInChI=1S/C22H19N3O2/c1-26-21-17(14-8-10-23-11-9-14)6-7-18-20(21)25-22(24-18)16-12-15-4-2-3-5-19(15)27-13-16/h2-11,16H,12-13H2,1H3,(H,24,25)
InChIKeyDKBAPYGVRCEGCL-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.35
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole

2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole (PubChem CID 46881928) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole
PubChem CID46881928
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole
SMILESCOc1c(-c2ccncc2)ccc2[nH]c(C3COc4ccccc4C3)nc12
InChIInChI=1S/C22H19N3O2/c1-26-21-17(14-8-10-23-11-9-14)6-7-18-20(21)25-22(24-18)16-12-15-4-2-3-5-19(15)27-13-16/h2-11,16H,12-13H2,1H3,(H,24,25)
InChIKeyDKBAPYGVRCEGCL-UHFFFAOYSA-N
XLogP4.35
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole (CID 46881928) is 2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole is COc1c(-c2ccncc2)ccc2[nH]c(C3COc4ccccc4C3)nc12.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole?
The InChIKey is DKBAPYGVRCEGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-26-21-17(14-8-10-23-11-9-14)6-7-18-20(21)25-22(24-18)16-12-15-4-2-3-5-19(15)27-13-16/h2-11,16H,12-13H2,1H3,(H,24,25).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole?
2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole has a molecular weight of 357.41 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-yl)-4-methoxy-5-pyridin-4-yl-1H-benzimidazole is sourced from PubChem (CID 46881928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).