2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C15H25N3O2S — CID 45272883

IUPAC2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc2c(n1CC1CC1)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)14-16-12-10-17(21(4,19)20)8-7-13(12)18(14)9-11-5-6-11/h11H,5-10H2,1-4H3
InChIKeyBFDQXULOCJSWAT-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.91
Rot. Bonds3

About 2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 45272883) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID45272883
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc2c(n1CC1CC1)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)14-16-12-10-17(21(4,19)20)8-7-13(12)18(14)9-11-5-6-11/h11H,5-10H2,1-4H3
InChIKeyBFDQXULOCJSWAT-UHFFFAOYSA-N
XLogP1.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 45272883) is 2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CC(C)(C)c1nc2c(n1CC1CC1)CCN(S(C)(=O)=O)C2.
What is the InChIKey of 2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is BFDQXULOCJSWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-15(2,3)14-16-12-10-17(21(4,19)20)8-7-13(12)18(14)9-11-5-6-11/h11H,5-10H2,1-4H3.
What are the key properties of 2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 311.45 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 45272883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).