4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole

C18H17N5O — CID 10336077

IUPAC4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole
SMILESCOc1c(-c2nc(-c3cccnc3)c(C)[nH]2)ccc2[nH]c(C)nc12
InChIInChI=1S/C18H17N5O/c1-10-15(12-5-4-8-19-9-12)23-18(20-10)13-6-7-14-16(17(13)24-3)22-11(2)21-14/h4-9H,1-3H3,(H,20,23)(H,21,22)
InChIKeyNZBDHTIHEVSEDJ-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.64
Rot. Bonds3

About 4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole

4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole (PubChem CID 10336077) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole
PubChem CID10336077
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole
SMILESCOc1c(-c2nc(-c3cccnc3)c(C)[nH]2)ccc2[nH]c(C)nc12
InChIInChI=1S/C18H17N5O/c1-10-15(12-5-4-8-19-9-12)23-18(20-10)13-6-7-14-16(17(13)24-3)22-11(2)21-14/h4-9H,1-3H3,(H,20,23)(H,21,22)
InChIKeyNZBDHTIHEVSEDJ-UHFFFAOYSA-N
XLogP3.64
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole?
The IUPAC name of 4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole (CID 10336077) is 4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole?
The canonical SMILES for 4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole is COc1c(-c2nc(-c3cccnc3)c(C)[nH]2)ccc2[nH]c(C)nc12.
What is the InChIKey of 4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole?
The InChIKey is NZBDHTIHEVSEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-10-15(12-5-4-8-19-9-12)23-18(20-10)13-6-7-14-16(17(13)24-3)22-11(2)21-14/h4-9H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole?
4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole has a molecular weight of 319.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-5-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 10336077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).