6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole

C17H15N5 — CID 10039811

IUPAC6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole
SMILESCc1cc2[nH]c(-c3ccncc3)nc2cc1-n1ccnc1C
InChIInChI=1S/C17H15N5/c1-11-9-14-15(10-16(11)22-8-7-19-12(22)2)21-17(20-14)13-3-5-18-6-4-13/h3-10H,1-2H3,(H,20,21)
InChIKeyHAYMLERMWIVADB-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.43
Rot. Bonds2

About 6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole

6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole (PubChem CID 10039811) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole
PubChem CID10039811
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole
SMILESCc1cc2[nH]c(-c3ccncc3)nc2cc1-n1ccnc1C
InChIInChI=1S/C17H15N5/c1-11-9-14-15(10-16(11)22-8-7-19-12(22)2)21-17(20-14)13-3-5-18-6-4-13/h3-10H,1-2H3,(H,20,21)
InChIKeyHAYMLERMWIVADB-UHFFFAOYSA-N
XLogP3.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole?
The IUPAC name of 6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole (CID 10039811) is 6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole.
What is the SMILES notation for 6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole?
The canonical SMILES for 6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole is Cc1cc2[nH]c(-c3ccncc3)nc2cc1-n1ccnc1C.
What is the InChIKey of 6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole?
The InChIKey is HAYMLERMWIVADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-11-9-14-15(10-16(11)22-8-7-19-12(22)2)21-17(20-14)13-3-5-18-6-4-13/h3-10H,1-2H3,(H,20,21).
What are the key properties of 6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole?
6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole has a molecular weight of 289.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-methylimidazol-1-yl)-2-pyridin-4-yl-1H-benzimidazole is sourced from PubChem (CID 10039811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).