1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine

C15H17ClN4 — CID 66407982

IUPAC1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2ncc(Cl)n2C)c2ccccc12
InChIInChI=1S/C15H17ClN4/c1-17-7-11-9-20(13-6-4-3-5-12(11)13)10-15-18-8-14(16)19(15)2/h3-6,8-9,17H,7,10H2,1-2H3
InChIKeySMCLAFQYNROAHP-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.80
Rot. Bonds4

About 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine

1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine (PubChem CID 66407982) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine
PubChem CID66407982
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2ncc(Cl)n2C)c2ccccc12
InChIInChI=1S/C15H17ClN4/c1-17-7-11-9-20(13-6-4-3-5-12(11)13)10-15-18-8-14(16)19(15)2/h3-6,8-9,17H,7,10H2,1-2H3
InChIKeySMCLAFQYNROAHP-UHFFFAOYSA-N
XLogP2.80
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine (CID 66407982) is 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine is CNCc1cn(Cc2ncc(Cl)n2C)c2ccccc12.
What is the InChIKey of 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine?
The InChIKey is SMCLAFQYNROAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-17-7-11-9-20(13-6-4-3-5-12(11)13)10-15-18-8-14(16)19(15)2/h3-6,8-9,17H,7,10H2,1-2H3.
What are the key properties of 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine?
1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine has a molecular weight of 288.78 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66407982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).