2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine

C16H19ClN4 — CID 141107266

IUPAC2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine
SMILESCc1cc2cc(-n3ccnc3)c(Cl)cc2n1CCN(C)C
InChIInChI=1S/C16H19ClN4/c1-12-8-13-9-16(20-5-4-18-11-20)14(17)10-15(13)21(12)7-6-19(2)3/h4-5,8-11H,6-7H2,1-3H3
InChIKeyWJQWFEZXIPTSKW-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.35
Rot. Bonds4

About 2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine

2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine (PubChem CID 141107266) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine
PubChem CID141107266
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine
SMILESCc1cc2cc(-n3ccnc3)c(Cl)cc2n1CCN(C)C
InChIInChI=1S/C16H19ClN4/c1-12-8-13-9-16(20-5-4-18-11-20)14(17)10-15(13)21(12)7-6-19(2)3/h4-5,8-11H,6-7H2,1-3H3
InChIKeyWJQWFEZXIPTSKW-UHFFFAOYSA-N
XLogP3.35
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-imidazol-1-ylbenzene-1,2-diamine
CID 10081805
2-chloro-4-imidazol-1-yl-5-methylaniline
CID 115555169
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole
CID 70471993
3-(6-chloro-5-methoxy-2-methylindol-1-yl)propan-1-amine
CID 82499498
2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol
CID 117345846
1-(2-imidazol-1-ylphenyl)-N,N-dimethylmethanamine
CID 175241925
1-[2-chloro-4-(isocyanatomethyl)phenyl]imidazole
CID 117339560
4-chloro-6-imidazol-1-yl-2-propylpyrimidine
CID 80945862
3-chloro-4-imidazol-1-ylbenzaldehyde
CID 23629424
7-chloro-4-imidazol-1-yl-6-methoxy-N,N-dimethylquinolin-2-amine
CID 171506611
N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 70081663
1-[2-chloro-4-(1,3-dioxolan-2-yl)phenyl]imidazole
CID 141434391

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine (CID 141107266) is 2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine is Cc1cc2cc(-n3ccnc3)c(Cl)cc2n1CCN(C)C.
What is the InChIKey of 2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine?
The InChIKey is WJQWFEZXIPTSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-12-8-13-9-16(20-5-4-18-11-20)14(17)10-15(13)21(12)7-6-19(2)3/h4-5,8-11H,6-7H2,1-3H3.
What are the key properties of 2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine?
2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine has a molecular weight of 302.81 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-imidazol-1-yl-2-methylindol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 141107266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).