N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine

C16H23BrN4 — CID 66163608

IUPACN-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCC(C)n1cncc1C(CN)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H23BrN4/c1-12(2)21-11-19-9-16(21)15(8-18)20(3)10-13-6-4-5-7-14(13)17/h4-7,9,11-12,15H,8,10,18H2,1-3H3
InChIKeyVXTXYFAOTUIEBJ-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.36
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine

N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66163608) has the molecular formula C16H23BrN4 and a molecular weight of 351.29 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66163608
Molecular FormulaC16H23BrN4
Molecular Weight351.29 g/mol
Exact Mass350.11
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCC(C)n1cncc1C(CN)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H23BrN4/c1-12(2)21-11-19-9-16(21)15(8-18)20(3)10-13-6-4-5-7-14(13)17/h4-7,9,11-12,15H,8,10,18H2,1-3H3
InChIKeyVXTXYFAOTUIEBJ-UHFFFAOYSA-N
XLogP3.36
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66162804
N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66119609
1-(3-propan-2-ylimidazol-4-yl)-N,N-dipropylethane-1,2-diamine
CID 66164186
N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine
CID 61416664
N-[(2-bromophenyl)methyl]-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 61416089
1-(4-bromo-5-methylthiophen-2-yl)-N-[(2-bromophenyl)methyl]-N-methylethane-1,2-diamine
CID 102838611
N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66163812
2-N-[(2-bromophenyl)methyl]-4-ethylsulfanyl-2-N-methylbutane-1,2-diamine
CID 116504016
N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 82948271
1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417147
2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164837
N-methyl-N-(2-methyloxolan-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 82734575

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (CID 66163608) is N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is CC(C)n1cncc1C(CN)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is VXTXYFAOTUIEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-12(2)21-11-19-9-16(21)15(8-18)20(3)10-13-6-4-5-7-14(13)17/h4-7,9,11-12,15H,8,10,18H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 351.29 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66163608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).