2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole

C12H17N3 — CID 155732243

IUPAC2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole
SMILESC1=c2nc(CN3CCCC3)[nH]c2=CCC1
InChIInChI=1S/C12H17N3/c1-2-6-11-10(5-1)13-12(14-11)9-15-7-3-4-8-15/h5-6H,1-4,7-9H2,(H,13,14)
InChIKeyCKMNZORMUABXOU-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.36
Rot. Bonds2

About 2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole

2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole (PubChem CID 155732243) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole
PubChem CID155732243
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole
SMILESC1=c2nc(CN3CCCC3)[nH]c2=CCC1
InChIInChI=1S/C12H17N3/c1-2-6-11-10(5-1)13-12(14-11)9-15-7-3-4-8-15/h5-6H,1-4,7-9H2,(H,13,14)
InChIKeyCKMNZORMUABXOU-UHFFFAOYSA-N
XLogP0.36
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole (CID 155732243) is 2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole is C1=c2nc(CN3CCCC3)[nH]c2=CCC1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole?
The InChIKey is CKMNZORMUABXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-6-11-10(5-1)13-12(14-11)9-15-7-3-4-8-15/h5-6H,1-4,7-9H2,(H,13,14).
What are the key properties of 2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole?
2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole has a molecular weight of 203.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)-5,6-dihydro-1H-benzimidazole is sourced from PubChem (CID 155732243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).