2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole

C13H18N4 — CID 18616871

IUPAC2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole
SMILESCC(c1nc2ccccc2[nH]1)C1NCCN1C
InChIInChI=1S/C13H18N4/c1-9(13-14-7-8-17(13)2)12-15-10-5-3-4-6-11(10)16-12/h3-6,9,13-14H,7-8H2,1-2H3,(H,15,16)
InChIKeyBFNREPFEBZHBEZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.53
Rot. Bonds2

About 2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole

2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole (PubChem CID 18616871) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole
PubChem CID18616871
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole
SMILESCC(c1nc2ccccc2[nH]1)C1NCCN1C
InChIInChI=1S/C13H18N4/c1-9(13-14-7-8-17(13)2)12-15-10-5-3-4-6-11(10)16-12/h3-6,9,13-14H,7-8H2,1-2H3,(H,15,16)
InChIKeyBFNREPFEBZHBEZ-UHFFFAOYSA-N
XLogP1.53
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 112756298
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
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2-(1H-benzimidazol-2-yl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83976007
2-[(2R)-1-[(2R)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole
CID 908483
2-[(2R)-1-[(2S)-oxolan-2-yl]propan-2-yl]-1H-benzimidazole
CID 7068341
4-[1-(1H-benzimidazol-2-yl)propyl]morpholine
CID 82336424
1H-benzimidazol-2-yl(piperidin-4-yl)methanamine
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CID 146180752

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole (CID 18616871) is 2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole is CC(c1nc2ccccc2[nH]1)C1NCCN1C.
What is the InChIKey of 2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole?
The InChIKey is BFNREPFEBZHBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(13-14-7-8-17(13)2)12-15-10-5-3-4-6-11(10)16-12/h3-6,9,13-14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole?
2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole has a molecular weight of 230.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylimidazolidin-2-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 18616871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).