[3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride

C16H14Cl3N3 — CID 70194628

IUPAC[3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(-c2ncc(-c3ccc(Cl)c(Cl)c3)[nH]2)c1
InChIInChI=1S/C16H13Cl2N3.ClH/c17-13-5-4-11(7-14(13)18)15-9-20-16(21-15)12-3-1-2-10(6-12)8-19;/h1-7,9H,8,19H2,(H,20,21);1H
InChIKeyODQHOUIKYVNTFS-UHFFFAOYSA-N
MW354.67 g/mol
LogP4.93
Rot. Bonds3

About [3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride

[3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride (PubChem CID 70194628) has the molecular formula C16H14Cl3N3 and a molecular weight of 354.67 g/mol. Its IUPAC name is [3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
PubChem CID70194628
Molecular FormulaC16H14Cl3N3
Molecular Weight354.67 g/mol
Exact Mass353.03
IUPAC Name[3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1cccc(-c2ncc(-c3ccc(Cl)c(Cl)c3)[nH]2)c1
InChIInChI=1S/C16H13Cl2N3.ClH/c17-13-5-4-11(7-14(13)18)15-9-20-16(21-15)12-3-1-2-10(6-12)8-19;/h1-7,9H,8,19H2,(H,20,21);1H
InChIKeyODQHOUIKYVNTFS-UHFFFAOYSA-N
XLogP4.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.67
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of [3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride (CID 70194628) is [3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride is Cl.NCc1cccc(-c2ncc(-c3ccc(Cl)c(Cl)c3)[nH]2)c1.
What is the InChIKey of [3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride?
The InChIKey is ODQHOUIKYVNTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3.ClH/c17-13-5-4-11(7-14(13)18)15-9-20-16(21-15)12-3-1-2-10(6-12)8-19;/h1-7,9H,8,19H2,(H,20,21);1H.
What are the key properties of [3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride?
[3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride has a molecular weight of 354.67 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 70194628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).