1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine

C14H19ClN4 — CID 84743375

IUPAC1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1c(Cl)nc(-c2ccccc2)n1C
InChIInChI=1S/C14H19ClN4/c1-18(2)11(9-16)12-13(15)17-14(19(12)3)10-7-5-4-6-8-10/h4-8,11H,9,16H2,1-3H3
InChIKeyPCLGLZWLDZQQPO-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.30
Rot. Bonds4

About 1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine

1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 84743375) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID84743375
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CN)c1c(Cl)nc(-c2ccccc2)n1C
InChIInChI=1S/C14H19ClN4/c1-18(2)11(9-16)12-13(15)17-14(19(12)3)10-7-5-4-6-8-10/h4-8,11H,9,16H2,1-3H3
InChIKeyPCLGLZWLDZQQPO-UHFFFAOYSA-N
XLogP2.30
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine (CID 84743375) is 1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CN)c1c(Cl)nc(-c2ccccc2)n1C.
What is the InChIKey of 1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is PCLGLZWLDZQQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-18(2)11(9-16)12-13(15)17-14(19(12)3)10-7-5-4-6-8-10/h4-8,11H,9,16H2,1-3H3.
What are the key properties of 1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine?
1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 278.79 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 84743375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).