N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine

C14H20N4 — CID 66163812

IUPACN-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCC(C)n1cncc1C(CN)Nc1ccccc1
InChIInChI=1S/C14H20N4/c1-11(2)18-10-16-9-14(18)13(8-15)17-12-6-4-3-5-7-12/h3-7,9-11,13,17H,8,15H2,1-2H3
InChIKeyJBSHGGHVGGSOCH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.58
Rot. Bonds5

About N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine

N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66163812) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66163812
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCC(C)n1cncc1C(CN)Nc1ccccc1
InChIInChI=1S/C14H20N4/c1-11(2)18-10-16-9-14(18)13(8-15)17-12-6-4-3-5-7-12/h3-7,9-11,13,17H,8,15H2,1-2H3
InChIKeyJBSHGGHVGGSOCH-UHFFFAOYSA-N
XLogP2.58
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 115406311
N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66164597
1-(3-methylimidazol-4-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 66116258
2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164837
N-ethyl-N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66163795
N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66119415
N-(3-bromophenyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129614
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66163608
1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine
CID 112669491
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737
1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine
CID 66164186

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (CID 66163812) is N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is CC(C)n1cncc1C(CN)Nc1ccccc1.
What is the InChIKey of N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is JBSHGGHVGGSOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(2)18-10-16-9-14(18)13(8-15)17-12-6-4-3-5-7-12/h3-7,9-11,13,17H,8,15H2,1-2H3.
What are the key properties of N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66163812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).