6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole

C13H17N3 — CID 61371342

IUPAC6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
SMILESCc1ccc2nc(CC3CCCN3)[nH]c2c1
InChIInChI=1S/C13H17N3/c1-9-4-5-11-12(7-9)16-13(15-11)8-10-3-2-6-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyVVMGNXZHHLZZPA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.17
Rot. Bonds2

About 6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole

6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole (PubChem CID 61371342) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
PubChem CID61371342
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
SMILESCc1ccc2nc(CC3CCCN3)[nH]c2c1
InChIInChI=1S/C13H17N3/c1-9-4-5-11-12(7-9)16-13(15-11)8-10-3-2-6-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3,(H,15,16)
InChIKeyVVMGNXZHHLZZPA-UHFFFAOYSA-N
XLogP2.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole (CID 61371342) is 6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole is Cc1ccc2nc(CC3CCCN3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole?
The InChIKey is VVMGNXZHHLZZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-4-5-11-12(7-9)16-13(15-11)8-10-3-2-6-14-10/h4-5,7,10,14H,2-3,6,8H2,1H3,(H,15,16).
What are the key properties of 6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole?
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole has a molecular weight of 215.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 61371342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).