2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine

C14H20N4 — CID 120840373

IUPAC2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine
SMILESCC(CN)N(C)Cc1nccn1-c1ccccc1
InChIInChI=1S/C14H20N4/c1-12(10-15)17(2)11-14-16-8-9-18(14)13-6-4-3-5-7-13/h3-9,12H,10-11,15H2,1-2H3
InChIKeyIYZOJLAFIUUFEP-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.65
Rot. Bonds5

About 2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine

2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine (PubChem CID 120840373) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine
PubChem CID120840373
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine
SMILESCC(CN)N(C)Cc1nccn1-c1ccccc1
InChIInChI=1S/C14H20N4/c1-12(10-15)17(2)11-14-16-8-9-18(14)13-6-4-3-5-7-13/h3-9,12H,10-11,15H2,1-2H3
InChIKeyIYZOJLAFIUUFEP-UHFFFAOYSA-N
XLogP1.65
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-1-methylsulfonyl-N-[(1-phenylimidazol-2-yl)methyl]propan-2-amine
CID 99795716
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
(1-phenylimidazol-2-yl)methanamine;hydrochloride
CID 162422854
2-octyl-1-phenylimidazole
CID 70493166
(2R)-N-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 95046645
2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 120835873
N-[(1-phenylimidazol-2-yl)methyl]-N-propylpiperidin-4-amine
CID 120835453
N-benzyl-N-methyl-1-phenylimidazol-2-amine
CID 21495235
2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine
CID 115023969
N'-[(3-methyl-2-pyridinyl)methyl]-N'-[(1-phenylimidazol-2-yl)methyl]butane-1,4-diamine
CID 11198881
1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine
CID 106553555
4-amino-N-[(1-phenylimidazol-2-yl)methyl]butanamide
CID 110460814

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine (CID 120840373) is 2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine is CC(CN)N(C)Cc1nccn1-c1ccccc1.
What is the InChIKey of 2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine?
The InChIKey is IYZOJLAFIUUFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-12(10-15)17(2)11-14-16-8-9-18(14)13-6-4-3-5-7-13/h3-9,12H,10-11,15H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine?
2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 120840373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).