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

C16H27N3O2S — CID 45273822

IUPAC1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)Cc1nc2c(n1CC1CC1)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C16H27N3O2S/c1-16(2,3)9-15-17-13-11-18(22(4,20)21)8-7-14(13)19(15)10-12-5-6-12/h12H,5-11H2,1-4H3
InChIKeyDKTDSCXHQWKPAB-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.20
Rot. Bonds4

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

1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 45273822) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID45273822
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)Cc1nc2c(n1CC1CC1)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C16H27N3O2S/c1-16(2,3)9-15-17-13-11-18(22(4,20)21)8-7-14(13)19(15)10-12-5-6-12/h12H,5-11H2,1-4H3
InChIKeyDKTDSCXHQWKPAB-UHFFFAOYSA-N
XLogP2.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 45273822) is 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CC(C)(C)Cc1nc2c(n1CC1CC1)CCN(S(C)(=O)=O)C2.
What is the InChIKey of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is DKTDSCXHQWKPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-16(2,3)9-15-17-13-11-18(22(4,20)21)8-7-14(13)19(15)10-12-5-6-12/h12H,5-11H2,1-4H3.
What are the key properties of 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 325.48 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 45273822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).