1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole

C14H19N3 — CID 83858076

IUPAC1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCc1ccc2nc(CC3CCCN3)n(C)c2c1
InChIInChI=1S/C14H19N3/c1-10-5-6-12-13(8-10)17(2)14(16-12)9-11-4-3-7-15-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3
InChIKeyCLTHXZPIZZZCAX-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.18
Rot. Bonds2

About 1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole

1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole (PubChem CID 83858076) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
PubChem CID83858076
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
SMILESCc1ccc2nc(CC3CCCN3)n(C)c2c1
InChIInChI=1S/C14H19N3/c1-10-5-6-12-13(8-10)17(2)14(16-12)9-11-4-3-7-15-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3
InChIKeyCLTHXZPIZZZCAX-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84630966
3-methyl-2-(piperidin-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 84641963
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
1-methyl-5-methylsulfonyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 81456118
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342
4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84633647
6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 115472334
1,6-dimethyl-2-piperidin-2-ylbenzimidazole
CID 83857900
1-methyl-7-propan-2-yl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84636819
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
6-bromo-1,4-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84646013
5-bromo-1,7-dimethyl-2-(piperidin-2-ylmethyl)benzimidazole
CID 84646012

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The IUPAC name of 1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole (CID 83858076) is 1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The canonical SMILES for 1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole is Cc1ccc2nc(CC3CCCN3)n(C)c2c1.
What is the InChIKey of 1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
The InChIKey is CLTHXZPIZZZCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-5-6-12-13(8-10)17(2)14(16-12)9-11-4-3-7-15-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3.
What are the key properties of 1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole?
1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole has a molecular weight of 229.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-(pyrrolidin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 83858076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).