N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine

C16H23N3 — CID 65172221

IUPACN-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)C)n1CCc1ccccc1
InChIInChI=1S/C16H23N3/c1-13(2)17-11-16-12-18-14(3)19(16)10-9-15-7-5-4-6-8-15/h4-8,12-13,17H,9-11H2,1-3H3
InChIKeyIEIMMYHKFWIVGB-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.93
Rot. Bonds6

About N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine

N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 65172221) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID65172221
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)C)n1CCc1ccccc1
InChIInChI=1S/C16H23N3/c1-13(2)17-11-16-12-18-14(3)19(16)10-9-15-7-5-4-6-8-15/h4-8,12-13,17H,9-11H2,1-3H3
InChIKeyIEIMMYHKFWIVGB-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[2-(4-methoxyphenyl)ethyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 65443435
N-[[3-(1,3-benzothiazol-2-ylmethyl)-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 104632164
N-[[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 107310259
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]propan-2-amine
CID 117193160
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-2-amine
CID 107888054
5-bromo-2-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 66307969
N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62736869
N-methyl-N-(2-phenylethyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 65488451
N-[[6-methyl-3-(2-phenylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79158258
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172120
N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 65173082

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine (CID 65172221) is N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine is Cc1ncc(CNC(C)C)n1CCc1ccccc1.
What is the InChIKey of N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is IEIMMYHKFWIVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(2)17-11-16-12-18-14(3)19(16)10-9-15-7-5-4-6-8-15/h4-8,12-13,17H,9-11H2,1-3H3.
What are the key properties of N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(2-phenylethyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65172221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).