5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole

C10H17N3 — CID 20692450

IUPAC5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCC1CC=C(CC2=NCC(C)N2)N1
InChIInChI=1S/C10H17N3/c1-7-3-4-9(12-7)5-10-11-6-8(2)13-10/h4,7-8,12H,3,5-6H2,1-2H3,(H,11,13)
InChIKeyCIMMGICOWSRWQS-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.03
Rot. Bonds2

About 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole

5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 20692450) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID20692450
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCC1CC=C(CC2=NCC(C)N2)N1
InChIInChI=1S/C10H17N3/c1-7-3-4-9(12-7)5-10-11-6-8(2)13-10/h4,7-8,12H,3,5-6H2,1-2H3,(H,11,13)
InChIKeyCIMMGICOWSRWQS-UHFFFAOYSA-N
XLogP1.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole
CID 20692436
2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole
CID 20692443
2-(1,2,3,4-Tetrahydropyridin-6-ylmethyl)-1,4,5,6-tetrahydropyrimidine
CID 21340217
2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazol-3-ium
CID 22090056
5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazol-3-ium
CID 22090112
2-[2-(1,2,3,4-Tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine
CID 22886471
2-[2-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]-4,5-dihydro-1H-imidazole
CID 22886477
2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole
CID 22886486
5-methyl-2-[2-(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)ethyl]-4,5-dihydro-1H-imidazole
CID 22886502
N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-1-en-2-amine
CID 70599548
8-Methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene
CID 130257225
N-[(Z)-hept-3-en-3-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 132001887

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole (CID 20692450) is 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole is CC1CC=C(CC2=NCC(C)N2)N1.
What is the InChIKey of 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is CIMMGICOWSRWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-3-4-9(12-7)5-10-11-6-8(2)13-10/h4,7-8,12H,3,5-6H2,1-2H3,(H,11,13).
What are the key properties of 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole?
5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 179.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 20692450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).