2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole

C12H19N3 — CID 102970007

IUPAC2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1(c2nc3c([nH]2)CCCC3)CCNC1
InChIInChI=1S/C12H19N3/c1-12(6-7-13-8-12)11-14-9-4-2-3-5-10(9)15-11/h13H,2-8H2,1H3,(H,14,15)
InChIKeyRPTDJFSHCRKQOU-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.54
Rot. Bonds1

About 2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole

2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 102970007) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID102970007
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCC1(c2nc3c([nH]2)CCCC3)CCNC1
InChIInChI=1S/C12H19N3/c1-12(6-7-13-8-12)11-14-9-4-2-3-5-10(9)15-11/h13H,2-8H2,1H3,(H,14,15)
InChIKeyRPTDJFSHCRKQOU-UHFFFAOYSA-N
XLogP1.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole (CID 102970007) is 2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole is CC1(c2nc3c([nH]2)CCCC3)CCNC1.
What is the InChIKey of 2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is RPTDJFSHCRKQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-12(6-7-13-8-12)11-14-9-4-2-3-5-10(9)15-11/h13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole?
2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 205.30 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 102970007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).