5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole

C14H19N3 — CID 63721268

IUPAC5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole
SMILESCc1cc2nc(C3CNCC3C)[nH]c2cc1C
InChIInChI=1S/C14H19N3/c1-8-4-12-13(5-9(8)2)17-14(16-12)11-7-15-6-10(11)3/h4-5,10-11,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyVYLNTNHGABBBDU-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.50
Rot. Bonds1

About 5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole

5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole (PubChem CID 63721268) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole
PubChem CID63721268
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole
SMILESCc1cc2nc(C3CNCC3C)[nH]c2cc1C
InChIInChI=1S/C14H19N3/c1-8-4-12-13(5-9(8)2)17-14(16-12)11-7-15-6-10(11)3/h4-5,10-11,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyVYLNTNHGABBBDU-UHFFFAOYSA-N
XLogP2.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dichloro-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole
CID 82005296
2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclohexan-1-amine
CID 64813916
2-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 64814123
5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole
CID 62336920
2-(5,6-dimethyl-1H-benzimidazol-2-yl)thiane 1,1-dioxide
CID 104520297
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62336192
6-chloro-2-(2-methylcyclopropyl)-1H-benzimidazole
CID 60648934
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-propylpiperidine-1-carbothioamide
CID 3223913
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpiperidine-1-carbothioamide
CID 1429964
2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole
CID 60977974
5,6-dimethyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
CID 70748771
5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole
CID 62677101

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole (CID 63721268) is 5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole is Cc1cc2nc(C3CNCC3C)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole?
The InChIKey is VYLNTNHGABBBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-8-4-12-13(5-9(8)2)17-14(16-12)11-7-15-6-10(11)3/h4-5,10-11,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole?
5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole has a molecular weight of 229.33 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(4-methylpyrrolidin-3-yl)-1H-benzimidazole is sourced from PubChem (CID 63721268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).