N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine

C15H20ClN3 — CID 97020997

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
SMILESC[C@@H](c1cccc(Cl)c1)N(C)CCCn1ccnc1
InChIInChI=1S/C15H20ClN3/c1-13(14-5-3-6-15(16)11-14)18(2)8-4-9-19-10-7-17-12-19/h3,5-7,10-13H,4,8-9H2,1-2H3/t13-/m0/s1
InChIKeyZLOXYIJCGSLCRJ-ZDUSSCGKSA-N
MW277.80 g/mol
LogP3.62
Rot. Bonds6

About N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine

N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine (PubChem CID 97020997) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
PubChem CID97020997
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
SMILESC[C@@H](c1cccc(Cl)c1)N(C)CCCn1ccnc1
InChIInChI=1S/C15H20ClN3/c1-13(14-5-3-6-15(16)11-14)18(2)8-4-9-19-10-7-17-12-19/h3,5-7,10-13H,4,8-9H2,1-2H3/t13-/m0/s1
InChIKeyZLOXYIJCGSLCRJ-ZDUSSCGKSA-N
XLogP3.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine (CID 97020997) is N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine is C[C@@H](c1cccc(Cl)c1)N(C)CCCn1ccnc1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
The InChIKey is ZLOXYIJCGSLCRJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-13(14-5-3-6-15(16)11-14)18(2)8-4-9-19-10-7-17-12-19/h3,5-7,10-13H,4,8-9H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine?
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine is sourced from PubChem (CID 97020997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).