1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole

C14H17N3 — CID 789498

IUPAC1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole
SMILESCN1c2ccccc2N(C)C1c1cccn1C
InChIInChI=1S/C14H17N3/c1-15-10-6-9-13(15)14-16(2)11-7-4-5-8-12(11)17(14)3/h4-10,14H,1-3H3
InChIKeyXMUDXGXXGMMPSV-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.61
Rot. Bonds1

About 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole

1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole (PubChem CID 789498) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole.

Molecular Properties

Compound Name1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole
PubChem CID789498
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole
SMILESCN1c2ccccc2N(C)C1c1cccn1C
InChIInChI=1S/C14H17N3/c1-15-10-6-9-13(15)14-16(2)11-7-4-5-8-12(11)17(14)3/h4-10,14H,1-3H3
InChIKeyXMUDXGXXGMMPSV-UHFFFAOYSA-N
XLogP2.61
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole?
The IUPAC name of 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole (CID 789498) is 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole.
What is the SMILES notation for 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole?
The canonical SMILES for 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole is CN1c2ccccc2N(C)C1c1cccn1C.
What is the InChIKey of 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole?
The InChIKey is XMUDXGXXGMMPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-15-10-6-9-13(15)14-16(2)11-7-4-5-8-12(11)17(14)3/h4-10,14H,1-3H3.
What are the key properties of 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole?
1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole has a molecular weight of 227.31 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(1-methylpyrrol-2-yl)-2H-benzimidazole is sourced from PubChem (CID 789498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).