2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine

C14H18ClN3 — CID 65230342

IUPAC2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1ncc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C14H18ClN3/c1-9(2)12(7-16)14-17-8-13(18-14)10-4-3-5-11(15)6-10/h3-6,8-9,12H,7,16H2,1-2H3,(H,17,18)
InChIKeyHVHFXDCPERQUTK-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.43
Rot. Bonds4

About 2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine

2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine (PubChem CID 65230342) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
PubChem CID65230342
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1ncc(-c2cccc(Cl)c2)[nH]1
InChIInChI=1S/C14H18ClN3/c1-9(2)12(7-16)14-17-8-13(18-14)10-4-3-5-11(15)6-10/h3-6,8-9,12H,7,16H2,1-2H3,(H,17,18)
InChIKeyHVHFXDCPERQUTK-UHFFFAOYSA-N
XLogP3.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine
CID 65231002
2-[5-(5-chlorothiophen-3-yl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 114082990
1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62476983
2-chloro-5-(3-chlorophenyl)-1H-imidazole
CID 105466466
1-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylsulfonylpropan-1-amine
CID 43651719
3-methyl-2-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-1-amine
CID 65231005
2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 65230623
2-[5-(3-bromophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 65232744
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 65232570
2-(5-bromo-1H-imidazol-2-yl)-3-methylbutan-1-amine
CID 116835015
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]ethanamine
CID 43649869
2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233339

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine (CID 65230342) is 2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine is CC(C)C(CN)c1ncc(-c2cccc(Cl)c2)[nH]1.
What is the InChIKey of 2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The InChIKey is HVHFXDCPERQUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9(2)12(7-16)14-17-8-13(18-14)10-4-3-5-11(15)6-10/h3-6,8-9,12H,7,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 65230342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).