2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole

C14H15ClN2O — CID 44593557

IUPAC2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
SMILESCOCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1
InChIInChI=1S/C14H15ClN2O/c1-18-8-12-10-2-3-11(14-16-6-7-17-14)9(10)4-5-13(12)15/h4-7,11H,2-3,8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyCMNAOKMSNCWOHS-LLVKDONJSA-N
MW262.74 g/mol
LogP3.29
Rot. Bonds3

About 2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole

2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole (PubChem CID 44593557) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
PubChem CID44593557
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole
SMILESCOCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1
InChIInChI=1S/C14H15ClN2O/c1-18-8-12-10-2-3-11(14-16-6-7-17-14)9(10)4-5-13(12)15/h4-7,11H,2-3,8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyCMNAOKMSNCWOHS-LLVKDONJSA-N
XLogP3.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
The IUPAC name of 2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole (CID 44593557) is 2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole.
What is the SMILES notation for 2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
The canonical SMILES for 2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole is COCc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1.
What is the InChIKey of 2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
The InChIKey is CMNAOKMSNCWOHS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-18-8-12-10-2-3-11(14-16-6-7-17-14)9(10)4-5-13(12)15/h4-7,11H,2-3,8H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole?
2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole has a molecular weight of 262.74 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-5-chloro-4-(methoxymethyl)-2,3-dihydro-1H-inden-1-yl]-1H-imidazole is sourced from PubChem (CID 44593557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).