(1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine

C17H18Cl2N4 — CID 99783040

IUPAC(1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine
SMILESCc1ccnc2nc(CN(C)[C@@H](C)c3ccc(Cl)cc3Cl)[nH]c12
InChIInChI=1S/C17H18Cl2N4/c1-10-6-7-20-17-16(10)21-15(22-17)9-23(3)11(2)13-5-4-12(18)8-14(13)19/h4-8,11H,9H2,1-3H3,(H,20,21,22)/t11-/m0/s1
InChIKeyNRNRYNSGLRRMED-NSHDSACASA-N
MW349.27 g/mol
LogP4.77
Rot. Bonds4

About (1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine

(1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine (PubChem CID 99783040) has the molecular formula C17H18Cl2N4 and a molecular weight of 349.27 g/mol. Its IUPAC name is (1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine
PubChem CID99783040
Molecular FormulaC17H18Cl2N4
Molecular Weight349.27 g/mol
Exact Mass348.09
IUPAC Name(1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine
SMILESCc1ccnc2nc(CN(C)[C@@H](C)c3ccc(Cl)cc3Cl)[nH]c12
InChIInChI=1S/C17H18Cl2N4/c1-10-6-7-20-17-16(10)21-15(22-17)9-23(3)11(2)13-5-4-12(18)8-14(13)19/h4-8,11H,9H2,1-3H3,(H,20,21,22)/t11-/m0/s1
InChIKeyNRNRYNSGLRRMED-NSHDSACASA-N
XLogP4.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine (CID 99783040) is (1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine is Cc1ccnc2nc(CN(C)[C@@H](C)c3ccc(Cl)cc3Cl)[nH]c12.
What is the InChIKey of (1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine?
The InChIKey is NRNRYNSGLRRMED-NSHDSACASA-N. The full InChI is InChI=1S/C17H18Cl2N4/c1-10-6-7-20-17-16(10)21-15(22-17)9-23(3)11(2)13-5-4-12(18)8-14(13)19/h4-8,11H,9H2,1-3H3,(H,20,21,22)/t11-/m0/s1.
What are the key properties of (1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine?
(1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine has a molecular weight of 349.27 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dichlorophenyl)-N-methyl-N-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]ethanamine is sourced from PubChem (CID 99783040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).