4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine

C18H17Cl2N3O — CID 140851998

IUPAC4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine
SMILESCOCc1nc2c(C3CC3)nccc2n1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2N3O/c1-24-10-16-22-18-15(6-7-21-17(18)11-2-3-11)23(16)9-12-8-13(19)4-5-14(12)20/h4-8,11H,2-3,9-10H2,1H3
InChIKeyMNSUWLQDZSHKTB-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.81
Rot. Bonds5

About 4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine

4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine (PubChem CID 140851998) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is 4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine
PubChem CID140851998
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine
SMILESCOCc1nc2c(C3CC3)nccc2n1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2N3O/c1-24-10-16-22-18-15(6-7-21-17(18)11-2-3-11)23(16)9-12-8-13(19)4-5-14(12)20/h4-8,11H,2-3,9-10H2,1H3
InChIKeyMNSUWLQDZSHKTB-UHFFFAOYSA-N
XLogP4.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine (CID 140851998) is 4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine is COCc1nc2c(C3CC3)nccc2n1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine?
The InChIKey is MNSUWLQDZSHKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-24-10-16-22-18-15(6-7-21-17(18)11-2-3-11)23(16)9-12-8-13(19)4-5-14(12)20/h4-8,11H,2-3,9-10H2,1H3.
What are the key properties of 4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine?
4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine has a molecular weight of 362.26 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-2-(methoxymethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 140851998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).