1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine

C12H14ClN3 — CID 62748347

IUPAC1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCc1[nH]cnc1CNCc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3/c1-9-12(16-8-15-9)7-14-6-10-2-4-11(13)5-3-10/h2-5,8,14H,6-7H2,1H3,(H,15,16)
InChIKeyUXPGAUUIUNWTDY-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.66
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine

1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (PubChem CID 62748347) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
PubChem CID62748347
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCc1[nH]cnc1CNCc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3/c1-9-12(16-8-15-9)7-14-6-10-2-4-11(13)5-3-10/h2-5,8,14H,6-7H2,1H3,(H,15,16)
InChIKeyUXPGAUUIUNWTDY-UHFFFAOYSA-N
XLogP2.66
TPSA40.71 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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (CID 62748347) is 1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is Cc1[nH]cnc1CNCc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The InChIKey is UXPGAUUIUNWTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9-12(16-8-15-9)7-14-6-10-2-4-11(13)5-3-10/h2-5,8,14H,6-7H2,1H3,(H,15,16).
What are the key properties of 1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine has a molecular weight of 235.72 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 62748347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).