1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine

C5H8ClN3 — CID 91481595

IUPAC1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine
SMILESCNCc1[nH]cnc1Cl
InChIInChI=1S/C5H8ClN3/c1-7-2-4-5(6)9-3-8-4/h3,7H,2H2,1H3,(H,8,9)
InChIKeyYKEVWJRLIQZAAP-UHFFFAOYSA-N
MW145.59 g/mol
LogP0.78
Rot. Bonds2

About 1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine

1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine (PubChem CID 91481595) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is 1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine
PubChem CID91481595
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine
SMILESCNCc1[nH]cnc1Cl
InChIInChI=1S/C5H8ClN3/c1-7-2-4-5(6)9-3-8-4/h3,7H,2H2,1H3,(H,8,9)
InChIKeyYKEVWJRLIQZAAP-UHFFFAOYSA-N
XLogP0.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine (CID 91481595) is 1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine is CNCc1[nH]cnc1Cl.
What is the InChIKey of 1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine?
The InChIKey is YKEVWJRLIQZAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3/c1-7-2-4-5(6)9-3-8-4/h3,7H,2H2,1H3,(H,8,9).
What are the key properties of 1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine?
1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine has a molecular weight of 145.59 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1H-imidazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 91481595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).