N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine

C11H12ClN3O — CID 118213355

IUPACN-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine
SMILESCOCc1cc(Cl)ccc1Nc1cnc[nH]1
InChIInChI=1S/C11H12ClN3O/c1-16-6-8-4-9(12)2-3-10(8)15-11-5-13-7-14-11/h2-5,7,15H,6H2,1H3,(H,13,14)
InChIKeyBDJNRKBXPIBZRZ-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.95
Rot. Bonds4

About N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine

N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine (PubChem CID 118213355) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine.

Molecular Properties

Compound NameN-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine
PubChem CID118213355
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC NameN-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine
SMILESCOCc1cc(Cl)ccc1Nc1cnc[nH]1
InChIInChI=1S/C11H12ClN3O/c1-16-6-8-4-9(12)2-3-10(8)15-11-5-13-7-14-11/h2-5,7,15H,6H2,1H3,(H,13,14)
InChIKeyBDJNRKBXPIBZRZ-UHFFFAOYSA-N
XLogP2.95
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine?
The IUPAC name of N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine (CID 118213355) is N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine.
What is the SMILES notation for N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine?
The canonical SMILES for N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine is COCc1cc(Cl)ccc1Nc1cnc[nH]1.
What is the InChIKey of N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine?
The InChIKey is BDJNRKBXPIBZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-16-6-8-4-9(12)2-3-10(8)15-11-5-13-7-14-11/h2-5,7,15H,6H2,1H3,(H,13,14).
What are the key properties of N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine?
N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine has a molecular weight of 237.69 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(methoxymethyl)phenyl]-1H-imidazol-5-amine is sourced from PubChem (CID 118213355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).