7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one

C19H21N3O — CID 15051935

IUPAC7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
SMILESCc1nc(CC2CCc3c(C)c4ccccc4n3C2=O)c(C)[nH]1
InChIInChI=1S/C19H21N3O/c1-11-15-6-4-5-7-18(15)22-17(11)9-8-14(19(22)23)10-16-12(2)20-13(3)21-16/h4-7,14H,8-10H2,1-3H3,(H,20,21)
InChIKeyOSZRKZWWHCCBSW-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.73
Rot. Bonds2

About 7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one

7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one (PubChem CID 15051935) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one.

Molecular Properties

Compound Name7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
PubChem CID15051935
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
SMILESCc1nc(CC2CCc3c(C)c4ccccc4n3C2=O)c(C)[nH]1
InChIInChI=1S/C19H21N3O/c1-11-15-6-4-5-7-18(15)22-17(11)9-8-14(19(22)23)10-16-12(2)20-13(3)21-16/h4-7,14H,8-10H2,1-3H3,(H,20,21)
InChIKeyOSZRKZWWHCCBSW-UHFFFAOYSA-N
XLogP3.73
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The IUPAC name of 7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one (CID 15051935) is 7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one.
What is the SMILES notation for 7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The canonical SMILES for 7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one is Cc1nc(CC2CCc3c(C)c4ccccc4n3C2=O)c(C)[nH]1.
What is the InChIKey of 7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The InChIKey is OSZRKZWWHCCBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-11-15-6-4-5-7-18(15)22-17(11)9-8-14(19(22)23)10-16-12(2)20-13(3)21-16/h4-7,14H,8-10H2,1-3H3,(H,20,21).
What are the key properties of 7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one has a molecular weight of 307.40 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one is sourced from PubChem (CID 15051935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).