6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole

C16H13N5O — CID 10108323

IUPAC6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
SMILESCOc1ncccc1-c1nc2ccc(-n3ccnc3)cc2[nH]1
InChIInChI=1S/C16H13N5O/c1-22-16-12(3-2-6-18-16)15-19-13-5-4-11(9-14(13)20-15)21-8-7-17-10-21/h2-10H,1H3,(H,19,20)
InChIKeyDCRQVLNISKWVBI-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.82
Rot. Bonds3

About 6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole

6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole (PubChem CID 10108323) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
PubChem CID10108323
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
SMILESCOc1ncccc1-c1nc2ccc(-n3ccnc3)cc2[nH]1
InChIInChI=1S/C16H13N5O/c1-22-16-12(3-2-6-18-16)15-19-13-5-4-11(9-14(13)20-15)21-8-7-17-10-21/h2-10H,1H3,(H,19,20)
InChIKeyDCRQVLNISKWVBI-UHFFFAOYSA-N
XLogP2.82
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole (CID 10108323) is 6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole is COc1ncccc1-c1nc2ccc(-n3ccnc3)cc2[nH]1.
What is the InChIKey of 6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole?
The InChIKey is DCRQVLNISKWVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-22-16-12(3-2-6-18-16)15-19-13-5-4-11(9-14(13)20-15)21-8-7-17-10-21/h2-10H,1H3,(H,19,20).
What are the key properties of 6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole?
6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole has a molecular weight of 291.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 10108323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).