N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine

C18H21Cl2N3O — CID 119122410

IUPACN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1CC(C)CNCC1=Cc2cc(Cl)cc(Cl)c2OC1
InChIInChI=1S/C18H21Cl2N3O/c1-12(10-23-4-3-22-13(23)2)8-21-9-14-5-15-6-16(19)7-17(20)18(15)24-11-14/h3-7,12,21H,8-11H2,1-2H3
InChIKeyQHBFYXPAVINMDS-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.20
Rot. Bonds6

About N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine

N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine (PubChem CID 119122410) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
PubChem CID119122410
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC NameN-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCc1nccn1CC(C)CNCC1=Cc2cc(Cl)cc(Cl)c2OC1
InChIInChI=1S/C18H21Cl2N3O/c1-12(10-23-4-3-22-13(23)2)8-21-9-14-5-15-6-16(19)7-17(20)18(15)24-11-14/h3-7,12,21H,8-11H2,1-2H3
InChIKeyQHBFYXPAVINMDS-UHFFFAOYSA-N
XLogP4.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The IUPAC name of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine (CID 119122410) is N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine is Cc1nccn1CC(C)CNCC1=Cc2cc(Cl)cc(Cl)c2OC1.
What is the InChIKey of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The InChIKey is QHBFYXPAVINMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O/c1-12(10-23-4-3-22-13(23)2)8-21-9-14-5-15-6-16(19)7-17(20)18(15)24-11-14/h3-7,12,21H,8-11H2,1-2H3.
What are the key properties of N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine has a molecular weight of 366.29 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 119122410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).