4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol

C18H17Cl2N3O — CID 68709476

IUPAC4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1ccc(O)cc1
InChIInChI=1S/C18H17Cl2N3O/c19-13-3-6-15(16(20)9-13)18-17(10-21)23(11-22-18)8-7-12-1-4-14(24)5-2-12/h1-6,9,11,24H,7-8,10,21H2
InChIKeyHTVDCWNUUVCUBM-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.26
Rot. Bonds5

About 4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol

4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol (PubChem CID 68709476) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is 4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol
PubChem CID68709476
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1ccc(O)cc1
InChIInChI=1S/C18H17Cl2N3O/c19-13-3-6-15(16(20)9-13)18-17(10-21)23(11-22-18)8-7-12-1-4-14(24)5-2-12/h1-6,9,11,24H,7-8,10,21H2
InChIKeyHTVDCWNUUVCUBM-UHFFFAOYSA-N
XLogP4.26
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol?
The IUPAC name of 4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol (CID 68709476) is 4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol?
The canonical SMILES for 4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol is NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1ccc(O)cc1.
What is the InChIKey of 4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol?
The InChIKey is HTVDCWNUUVCUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c19-13-3-6-15(16(20)9-13)18-17(10-21)23(11-22-18)8-7-12-1-4-14(24)5-2-12/h1-6,9,11,24H,7-8,10,21H2.
What are the key properties of 4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol?
4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol has a molecular weight of 362.26 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(aminomethyl)-4-(2,4-dichlorophenyl)imidazol-1-yl]ethyl]phenol is sourced from PubChem (CID 68709476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).