1-methylbenzimidazole;pyrrolidine

C12H17N3 — CID 174527283

IUPAC1-methylbenzimidazole;pyrrolidine
SMILESC1CCNC1.Cn1cnc2ccccc21
InChIInChI=1S/C8H8N2.C4H9N/c1-10-6-9-7-4-2-3-5-8(7)10;1-2-4-5-3-1/h2-6H,1H3;5H,1-4H2
InChIKeyCEROFIZKWPYWAH-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.94
Rot. Bonds

About 1-methylbenzimidazole;pyrrolidine

1-methylbenzimidazole;pyrrolidine (PubChem CID 174527283) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-methylbenzimidazole;pyrrolidine.

Molecular Properties

Compound Name1-methylbenzimidazole;pyrrolidine
PubChem CID174527283
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-methylbenzimidazole;pyrrolidine
SMILESC1CCNC1.Cn1cnc2ccccc21
InChIInChI=1S/C8H8N2.C4H9N/c1-10-6-9-7-4-2-3-5-8(7)10;1-2-4-5-3-1/h2-6H,1H3;5H,1-4H2
InChIKeyCEROFIZKWPYWAH-UHFFFAOYSA-N
XLogP1.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2,2-dimethylpropane;1-methylbenzimidazole
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1-(1,4-diazepan-1-yl)benzimidazole
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1,4-diazepan-1-yl-(3-methylbenzimidazol-5-yl)methanone
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2H-benzotriazole;pyrrolidine
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1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole
CID 117363225
1-methyl-5-piperidin-4-yloxybenzimidazole
CID 84694843
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Frequently Asked Questions

What is the IUPAC name of 1-methylbenzimidazole;pyrrolidine?
The IUPAC name of 1-methylbenzimidazole;pyrrolidine (CID 174527283) is 1-methylbenzimidazole;pyrrolidine.
What is the SMILES notation for 1-methylbenzimidazole;pyrrolidine?
The canonical SMILES for 1-methylbenzimidazole;pyrrolidine is C1CCNC1.Cn1cnc2ccccc21.
What is the InChIKey of 1-methylbenzimidazole;pyrrolidine?
The InChIKey is CEROFIZKWPYWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C4H9N/c1-10-6-9-7-4-2-3-5-8(7)10;1-2-4-5-3-1/h2-6H,1H3;5H,1-4H2.
What are the key properties of 1-methylbenzimidazole;pyrrolidine?
1-methylbenzimidazole;pyrrolidine has a molecular weight of 203.29 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzimidazole;pyrrolidine is sourced from PubChem (CID 174527283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).