2-(1-methylpyrrol-2-yl)-1H-benzimidazole

C12H11N3 — CID 5137816

IUPAC2-(1-methylpyrrol-2-yl)-1H-benzimidazole
SMILESCn1cccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C12H11N3/c1-15-8-4-7-11(15)12-13-9-5-2-3-6-10(9)14-12/h2-8H,1H3,(H,13,14)
InChIKeyPVBGKHIXJFVFBP-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.57
Rot. Bonds1

About 2-(1-methylpyrrol-2-yl)-1H-benzimidazole

2-(1-methylpyrrol-2-yl)-1H-benzimidazole (PubChem CID 5137816) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-1H-benzimidazole
PubChem CID5137816
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name2-(1-methylpyrrol-2-yl)-1H-benzimidazole
SMILESCn1cccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C12H11N3/c1-15-8-4-7-11(15)12-13-9-5-2-3-6-10(9)14-12/h2-8H,1H3,(H,13,14)
InChIKeyPVBGKHIXJFVFBP-UHFFFAOYSA-N
XLogP2.57
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzimidazole
CID 5798
Glu-P 2
CID 49970
2-Methylbenzimidazole
CID 11984
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
1H-Benzimidazole-2-methanamine
CID 145820
2-(2'-Pyridyl)benzimidazole
CID 70821
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
2-tert-Butylbenzimidazole
CID 32366
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
2-Amino-1-methylbenzimidazole
CID 74187

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-1H-benzimidazole (CID 5137816) is 2-(1-methylpyrrol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-1H-benzimidazole is Cn1cccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-1H-benzimidazole?
The InChIKey is PVBGKHIXJFVFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-15-8-4-7-11(15)12-13-9-5-2-3-6-10(9)14-12/h2-8H,1H3,(H,13,14).
What are the key properties of 2-(1-methylpyrrol-2-yl)-1H-benzimidazole?
2-(1-methylpyrrol-2-yl)-1H-benzimidazole has a molecular weight of 197.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 5137816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).