N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine

C16H17ClN4 — CID 103386410

IUPACN-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine
SMILESCn1cnc2c(NC(CCl)Cc3ccccc3)nccc21
InChIInChI=1S/C16H17ClN4/c1-21-11-19-15-14(21)7-8-18-16(15)20-13(10-17)9-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3,(H,18,20)
InChIKeyOOIMURUSDDVYOE-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.23
Rot. Bonds5

About N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine

N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine (PubChem CID 103386410) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine
PubChem CID103386410
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine
SMILESCn1cnc2c(NC(CCl)Cc3ccccc3)nccc21
InChIInChI=1S/C16H17ClN4/c1-21-11-19-15-14(21)7-8-18-16(15)20-13(10-17)9-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3,(H,18,20)
InChIKeyOOIMURUSDDVYOE-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-methylimidazo[4,5-c]pyridin-4-amine
CID 1400630
N-[1-(4-fluorophenyl)propan-2-yl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385595
N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine
CID 65028967
N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 65029018
1-methyl-N-(2-phenylpropyl)imidazo[4,5-c]pyridin-4-amine
CID 103385789
N-[1-(furan-2-yl)propan-2-yl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385464
2-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]-1-phenylethanol
CID 103385395
1-methyl-N-(2-methyl-2-phenylpropyl)imidazo[4,5-c]pyridin-4-amine
CID 103385442
N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386457
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine
CID 79717744
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
CID 63260482
N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386117

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine (CID 103386410) is N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine is Cn1cnc2c(NC(CCl)Cc3ccccc3)nccc21.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is OOIMURUSDDVYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-21-11-19-15-14(21)7-8-18-16(15)20-13(10-17)9-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3,(H,18,20).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine?
N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 300.79 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 103386410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).