2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine

C12H14ClN3 — CID 11776253

IUPAC2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(Cc2cccc(Cl)c2)[nH]1
InChIInChI=1S/C12H14ClN3/c13-10-3-1-2-9(6-10)7-12-15-8-11(16-12)4-5-14/h1-3,6,8H,4-5,7,14H2,(H,15,16)
InChIKeyQRAAJWVMUWKXBW-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.16
Rot. Bonds4

About 2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine

2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine (PubChem CID 11776253) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine
PubChem CID11776253
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine
SMILESNCCc1cnc(Cc2cccc(Cl)c2)[nH]1
InChIInChI=1S/C12H14ClN3/c13-10-3-1-2-9(6-10)7-12-15-8-11(16-12)4-5-14/h1-3,6,8H,4-5,7,14H2,(H,15,16)
InChIKeyQRAAJWVMUWKXBW-UHFFFAOYSA-N
XLogP2.16
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine (CID 11776253) is 2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine is NCCc1cnc(Cc2cccc(Cl)c2)[nH]1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine?
The InChIKey is QRAAJWVMUWKXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-10-3-1-2-9(6-10)7-12-15-8-11(16-12)4-5-14/h1-3,6,8H,4-5,7,14H2,(H,15,16).
What are the key properties of 2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine?
2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 11776253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).