2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole

C13H21N3 — CID 102819887

IUPAC2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1C[C@H]1CCCN1)CCCC2
InChIInChI=1S/C13H21N3/c1-10-15-12-6-2-3-7-13(12)16(10)9-11-5-4-8-14-11/h11,14H,2-9H2,1H3/t11-/m1/s1
InChIKeyGUXCRQMFQUZNKX-LLVKDONJSA-N
MW219.33 g/mol
LogP1.82
Rot. Bonds2

About 2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole

2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 102819887) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole
PubChem CID102819887
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1C[C@H]1CCCN1)CCCC2
InChIInChI=1S/C13H21N3/c1-10-15-12-6-2-3-7-13(12)16(10)9-11-5-4-8-14-11/h11,14H,2-9H2,1H3/t11-/m1/s1
InChIKeyGUXCRQMFQUZNKX-LLVKDONJSA-N
XLogP1.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-but-2-ynyl-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 115773580
1-(cyclobutylmethyl)-2-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856548
1-[(3,5-dimethylphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626608
5-bromo-4,6-dimethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-2-one
CID 102819881
7-ethyl-3,8-dimethyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82466474
2-methyl-1-(oxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859333
6-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 141264101
3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
CID 102819892
1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 103857979
2,3-dimethyl-5,6,7,8,9,10-hexahydro-4H-cyclonona[d]imidazole
CID 166685535
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydrobenzimidazole
CID 115773626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole (CID 102819887) is 2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole is Cc1nc2c(n1C[C@H]1CCCN1)CCCC2.
What is the InChIKey of 2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is GUXCRQMFQUZNKX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-15-12-6-2-3-7-13(12)16(10)9-11-5-4-8-14-11/h11,14H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole?
2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 219.33 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 102819887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).