1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine

C16H19ClN4 — CID 114528961

IUPAC1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(CCc2nccn2C)c2cc(Cl)ccc12
InChIInChI=1S/C16H19ClN4/c1-18-10-12-11-21(7-5-16-19-6-8-20(16)2)15-9-13(17)3-4-14(12)15/h3-4,6,8-9,11,18H,5,7,10H2,1-2H3
InChIKeyVGMOTJNACCCMED-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.99
Rot. Bonds5

About 1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine

1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine (PubChem CID 114528961) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine
PubChem CID114528961
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(CCc2nccn2C)c2cc(Cl)ccc12
InChIInChI=1S/C16H19ClN4/c1-18-10-12-11-21(7-5-16-19-6-8-20(16)2)15-9-13(17)3-4-14(12)15/h3-4,6,8-9,11,18H,5,7,10H2,1-2H3
InChIKeyVGMOTJNACCCMED-UHFFFAOYSA-N
XLogP2.99
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-1-methylindol-3-yl)-N-methylmethanamine
CID 22139039
1-[6-chloro-1-[3-(2-methoxyethoxy)propyl]indol-3-yl]-N-methylmethanamine
CID 103411335
N-methyl-1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-5-yl]methanamine
CID 114532036
1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine
CID 102878056
4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole
CID 114531927
6-chloro-2-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazole
CID 115471397
7-chloro-3-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)quinolin-4-one
CID 10269682
N-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 81146312
N-methyl-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]methanamine
CID 66151369
2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 43088170
1-[4,5-dimethoxy-2-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylmethanamine
CID 79738334
N-methyl-1-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanamine
CID 66408219

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine (CID 114528961) is 1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine is CNCc1cn(CCc2nccn2C)c2cc(Cl)ccc12.
What is the InChIKey of 1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine?
The InChIKey is VGMOTJNACCCMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-18-10-12-11-21(7-5-16-19-6-8-20(16)2)15-9-13(17)3-4-14(12)15/h3-4,6,8-9,11,18H,5,7,10H2,1-2H3.
What are the key properties of 1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine?
1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine has a molecular weight of 302.81 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114528961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).