3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol

C17H16ClN3O — CID 5151576

IUPAC3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
SMILESCn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc(O)c1
InChIInChI=1S/C17H16ClN3O/c1-21-16(13-5-7-14(18)8-6-13)11-20-17(21)19-10-12-3-2-4-15(22)9-12/h2-9,11,22H,10H2,1H3,(H,19,20)
InChIKeyXMWIRGLIIVCQMN-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.06
Rot. Bonds4

About 3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol

3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol (PubChem CID 5151576) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
PubChem CID5151576
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol
SMILESCn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc(O)c1
InChIInChI=1S/C17H16ClN3O/c1-21-16(13-5-7-14(18)8-6-13)11-20-17(21)19-10-12-3-2-4-15(22)9-12/h2-9,11,22H,10H2,1H3,(H,19,20)
InChIKeyXMWIRGLIIVCQMN-UHFFFAOYSA-N
XLogP4.06
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol?
The IUPAC name of 3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol (CID 5151576) is 3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol?
The canonical SMILES for 3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol is Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc(O)c1.
What is the InChIKey of 3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol?
The InChIKey is XMWIRGLIIVCQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-21-16(13-5-7-14(18)8-6-13)11-20-17(21)19-10-12-3-2-4-15(22)9-12/h2-9,11,22H,10H2,1H3,(H,19,20).
What are the key properties of 3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol?
3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol has a molecular weight of 313.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-(4-chlorophenyl)-1-methylimidazol-2-yl]amino]methyl]phenol is sourced from PubChem (CID 5151576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).