N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

C18H28N4 — CID 120971823

IUPACN-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCC1CC(CCNC2=NCCN2C)CN1Cc1ccccc1
InChIInChI=1S/C18H28N4/c1-15-12-17(8-9-19-18-20-10-11-21(18)2)14-22(15)13-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,19,20)
InChIKeyWMVYVYVLCXJWOX-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.18
Rot. Bonds5

About N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120971823) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120971823
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCC1CC(CCNC2=NCCN2C)CN1Cc1ccccc1
InChIInChI=1S/C18H28N4/c1-15-12-17(8-9-19-18-20-10-11-21(18)2)14-22(15)13-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,19,20)
InChIKeyWMVYVYVLCXJWOX-UHFFFAOYSA-N
XLogP2.18
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-methyl-N-[2-(2-methyloxan-4-yl)ethyl]-4,5-dihydroimidazol-2-amine
CID 120972089
1,3-bis[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]urea
CID 166232254
1-methyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970589
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine
CID 124569518
N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970051
1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969584
1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120971823) is N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is CC1CC(CCNC2=NCCN2C)CN1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is WMVYVYVLCXJWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-15-12-17(8-9-19-18-20-10-11-21(18)2)14-22(15)13-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 300.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120971823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).