1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole

C10H17N3 — CID 20692436

IUPAC1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole
SMILESCN1CCC=C1CC1=NCCN1C
InChIInChI=1S/C10H17N3/c1-12-6-3-4-9(12)8-10-11-5-7-13(10)2/h4H,3,5-8H2,1-2H3
InChIKeyWACHNOKZCOSZSS-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.94
Rot. Bonds2

About 1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole

1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole (PubChem CID 20692436) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole
PubChem CID20692436
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole
SMILESCN1CCC=C1CC1=NCCN1C
InChIInChI=1S/C10H17N3/c1-12-6-3-4-9(12)8-10-11-5-7-13(10)2/h4H,3,5-8H2,1-2H3
InChIKeyWACHNOKZCOSZSS-UHFFFAOYSA-N
XLogP0.94
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole
CID 20692443
5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole
CID 20692450
[5-[[1-(Hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol
CID 20695934
N,1,5-trimethyl-3H-pyrrol-2-imine
CID 21131855
5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium
CID 22090112
1-[2-(1,5-Dimethyl-2,3-dihydropyrrol-1-ium-1-yl)ethyl]-1,2-dimethyl-4,5-dihydroimidazol-1-ium
CID 59960083
(5E)-5-ethylidene-1,2,4,4-tetramethylimidazole
CID 137427466
2-methyl-1-[(E)-5-methylhex-2-en-2-yl]-4,5-dihydroimidazole
CID 142973876
5,7,7-Trimethyl-2,3-dihydropyrrolo[1,2-a]imidazole
CID 154090366
N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine
CID 154091731
6,8,8-trimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine
CID 154164313
(5E)-2-methyl-1-propan-2-yl-5-propylidene-4H-imidazole
CID 154967867

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole?
The IUPAC name of 1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole (CID 20692436) is 1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole is CN1CCC=C1CC1=NCCN1C.
What is the InChIKey of 1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole?
The InChIKey is WACHNOKZCOSZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-6-3-4-9(12)8-10-11-5-7-13(10)2/h4H,3,5-8H2,1-2H3.
What are the key properties of 1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole?
1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole has a molecular weight of 179.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole is sourced from PubChem (CID 20692436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).