1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole

C12H19N3 — CID 82112825

IUPAC1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole
SMILESCn1c(C2CCCN2)nc2c1CCCC2
InChIInChI=1S/C12H19N3/c1-15-11-7-3-2-5-9(11)14-12(15)10-6-4-8-13-10/h10,13H,2-8H2,1H3
InChIKeyNQXKRAODFBYQRD-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.72
Rot. Bonds1

About 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole

1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 82112825) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID82112825
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole
SMILESCn1c(C2CCCN2)nc2c1CCCC2
InChIInChI=1S/C12H19N3/c1-15-11-7-3-2-5-9(11)14-12(15)10-6-4-8-13-10/h10,13H,2-8H2,1H3
InChIKeyNQXKRAODFBYQRD-UHFFFAOYSA-N
XLogP1.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 13248792
3-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-1-yl)propan-1-amine
CID 20515389
2-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride
CID 13170819
2,5,8-Triazatricyclo[7.5.0.0,2,7]tetradeca-1(9),7-diene
CID 63034720
2-(pyrrolidin-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride
CID 71692500
1-methyl-2-(pyrrolidin-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride
CID 86767570
1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride
CID 86775661
2-methyl-1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride
CID 86811707
1,8,11-Triazatricyclo(7.4.0.0,2,7)trideca-2(7),8-diene hydrochloride
CID 137951779
1-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-amine hydrochloride
CID 137965731
1-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-6-amine dihydrochloride
CID 165943341
(5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 96635921

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole (CID 82112825) is 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole is Cn1c(C2CCCN2)nc2c1CCCC2.
What is the InChIKey of 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is NQXKRAODFBYQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-15-11-7-3-2-5-9(11)14-12(15)10-6-4-8-13-10/h10,13H,2-8H2,1H3.
What are the key properties of 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole?
1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 205.30 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyrrolidin-2-yl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 82112825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).