[(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone

C18H19Cl2N5O — CID 169197088

IUPAC[(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone
SMILESC[C@@H]1c2c([nH]c3c(Cl)c(Cl)ccc23)CCN1C(=O)c1ncc(N(C)C)[nH]1
InChIInChI=1S/C18H19Cl2N5O/c1-9-14-10-4-5-11(19)15(20)16(10)22-12(14)6-7-25(9)18(26)17-21-8-13(23-17)24(2)3/h4-5,8-9,22H,6-7H2,1-3H3,(H,21,23)/t9-/m1/s1
InChIKeyIWELLGIPPSWDTJ-SECBINFHSA-N
MW392.29 g/mol
LogP4.02
Rot. Bonds2

About [(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone

[(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone (PubChem CID 169197088) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is [(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone.

Molecular Properties

Compound Name[(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone
PubChem CID169197088
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name[(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone
SMILESC[C@@H]1c2c([nH]c3c(Cl)c(Cl)ccc23)CCN1C(=O)c1ncc(N(C)C)[nH]1
InChIInChI=1S/C18H19Cl2N5O/c1-9-14-10-4-5-11(19)15(20)16(10)22-12(14)6-7-25(9)18(26)17-21-8-13(23-17)24(2)3/h4-5,8-9,22H,6-7H2,1-3H3,(H,21,23)/t9-/m1/s1
InChIKeyIWELLGIPPSWDTJ-SECBINFHSA-N
XLogP4.02
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone?
The IUPAC name of [(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone (CID 169197088) is [(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone.
What is the SMILES notation for [(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone?
The canonical SMILES for [(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone is C[C@@H]1c2c([nH]c3c(Cl)c(Cl)ccc23)CCN1C(=O)c1ncc(N(C)C)[nH]1.
What is the InChIKey of [(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone?
The InChIKey is IWELLGIPPSWDTJ-SECBINFHSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-9-14-10-4-5-11(19)15(20)16(10)22-12(14)6-7-25(9)18(26)17-21-8-13(23-17)24(2)3/h4-5,8-9,22H,6-7H2,1-3H3,(H,21,23)/t9-/m1/s1.
What are the key properties of [(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone?
[(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone has a molecular weight of 392.29 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-[5-(dimethylamino)-1H-imidazol-2-yl]methanone is sourced from PubChem (CID 169197088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).