(3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

C17H19BrClN3O — CID 119043431

IUPAC(3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCC(C)c1nc2c(n1C)CCN(C(=O)c1cccc(Br)c1Cl)C2
InChIInChI=1S/C17H19BrClN3O/c1-10(2)16-20-13-9-22(8-7-14(13)21(16)3)17(23)11-5-4-6-12(18)15(11)19/h4-6,10H,7-9H2,1-3H3
InChIKeyJQEAELWIKRPHAL-UHFFFAOYSA-N
MW396.72 g/mol
LogP4.16
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone

(3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 119043431) has the molecular formula C17H19BrClN3O and a molecular weight of 396.72 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID119043431
Molecular FormulaC17H19BrClN3O
Molecular Weight396.72 g/mol
Exact Mass395.04
IUPAC Name(3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
SMILESCC(C)c1nc2c(n1C)CCN(C(=O)c1cccc(Br)c1Cl)C2
InChIInChI=1S/C17H19BrClN3O/c1-10(2)16-20-13-9-22(8-7-14(13)21(16)3)17(23)11-5-4-6-12(18)15(11)19/h4-6,10H,7-9H2,1-3H3
InChIKeyJQEAELWIKRPHAL-UHFFFAOYSA-N
XLogP4.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.72
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone (CID 119043431) is (3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is CC(C)c1nc2c(n1C)CCN(C(=O)c1cccc(Br)c1Cl)C2.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is JQEAELWIKRPHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN3O/c1-10(2)16-20-13-9-22(8-7-14(13)21(16)3)17(23)11-5-4-6-12(18)15(11)19/h4-6,10H,7-9H2,1-3H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone?
(3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 396.72 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 119043431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).