10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride

C21H26ClN3O — CID 19097320

IUPAC10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride
SMILESCCCC1(Cc2nc[nH]c2C)CCc2c(C)c3ccccc3n2C1=O.Cl
InChIInChI=1S/C21H25N3O.ClH/c1-4-10-21(12-17-15(3)22-13-23-17)11-9-18-14(2)16-7-5-6-8-19(16)24(18)20(21)25;/h5-8,13H,4,9-12H2,1-3H3,(H,22,23);1H
InChIKeyFSCBCXXGTFMXGE-UHFFFAOYSA-N
MW371.91 g/mol
LogP5.02
Rot. Bonds4

About 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride

10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride (PubChem CID 19097320) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride.

Molecular Properties

Compound Name10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride
PubChem CID19097320
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride
SMILESCCCC1(Cc2nc[nH]c2C)CCc2c(C)c3ccccc3n2C1=O.Cl
InChIInChI=1S/C21H25N3O.ClH/c1-4-10-21(12-17-15(3)22-13-23-17)11-9-18-14(2)16-7-5-6-8-19(16)24(18)20(21)25;/h5-8,13H,4,9-12H2,1-3H3,(H,22,23);1H
InChIKeyFSCBCXXGTFMXGE-UHFFFAOYSA-N
XLogP5.02
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.91
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride
CID 19787125
10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methylidene]-8,9-dihydropyrido[1,2-a]indol-6-one
CID 54016559
10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride
CID 70147204
10-ethyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one;hydrochloride
CID 19097302
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
CID 2099
2-(1H-imidazol-5-ylmethyl)-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one
CID 10446387
10-methyl-7-[(2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
CID 70068921
7-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-10-methyl-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
CID 15051935
2-[1-(1H-imidazol-5-yl)ethyl]-5-methyl-3,4-dihydropyrimido[1,6-a]indol-1-one;hydrochloride
CID 19787131
but-2-enedioic acid;3-[(5-methyl-1H-imidazol-4-yl)methyl]-9-prop-2-enyl-2,3-dihydro-1H-carbazol-4-one
CID 67885839
(Z)-but-2-enedioic acid;9-(cyclopentylmethyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 14233908
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 139640481

Frequently Asked Questions

What is the IUPAC name of 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride?
The IUPAC name of 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride (CID 19097320) is 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride.
What is the SMILES notation for 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride?
The canonical SMILES for 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride is CCCC1(Cc2nc[nH]c2C)CCc2c(C)c3ccccc3n2C1=O.Cl.
What is the InChIKey of 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride?
The InChIKey is FSCBCXXGTFMXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.ClH/c1-4-10-21(12-17-15(3)22-13-23-17)11-9-18-14(2)16-7-5-6-8-19(16)24(18)20(21)25;/h5-8,13H,4,9-12H2,1-3H3,(H,22,23);1H.
What are the key properties of 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride?
10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7-propyl-8,9-dihydropyrido[1,2-a]indol-6-one;hydrochloride is sourced from PubChem (CID 19097320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).