7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one

C20H21N3O — CID 54372224

IUPAC7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one
SMILESCc1[nH]cnc1CC1CC2CCCn3c2c(c2ccccc23)C1=O
InChIInChI=1S/C20H21N3O/c1-12-16(22-11-21-12)10-14-9-13-5-4-8-23-17-7-3-2-6-15(17)18(19(13)23)20(14)24/h2-3,6-7,11,13-14H,4-5,8-10H2,1H3,(H,21,22)
InChIKeyUTZSHUHZXKSUKQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.00
Rot. Bonds2

About 7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one

7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one (PubChem CID 54372224) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one.

Molecular Properties

Compound Name7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one
PubChem CID54372224
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one
SMILESCc1[nH]cnc1CC1CC2CCCn3c2c(c2ccccc23)C1=O
InChIInChI=1S/C20H21N3O/c1-12-16(22-11-21-12)10-14-9-13-5-4-8-23-17-7-3-2-6-15(17)18(19(13)23)20(14)24/h2-3,6-7,11,13-14H,4-5,8-10H2,1H3,(H,21,22)
InChIKeyUTZSHUHZXKSUKQ-UHFFFAOYSA-N
XLogP4.00
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one with MolForge

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Related Compounds

7-[(2-methylimidazol-1-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one
CID 70364668
bis[9-cyclopentyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]-4-oxo-2,3-dihydro-1H-carbazol-1-yl] (Z)-but-2-enedioate
CID 67885624
(Z)-but-2-enedioic acid;9-(cyclopentylmethyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 14233908
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
but-2-enedioic acid;3-[(5-methyl-1H-imidazol-4-yl)methyl]-9-prop-2-ynyl-2,3-dihydro-1H-carbazol-4-one
CID 173364594
9-(benzenesulfonyl)-3-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;but-2-enedioic acid
CID 67885757
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
10-methyl-7-[(5-methyl-1H-imidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one;hydrochloride
CID 70147204
(12R)-12-[(2-methylimidazol-1-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one;5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
CID 70071226
3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride
CID 70041755
3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-prop-2-enyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one
CID 67819773

Frequently Asked Questions

What is the IUPAC name of 7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one?
The IUPAC name of 7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one (CID 54372224) is 7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one.
What is the SMILES notation for 7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one?
The canonical SMILES for 7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one is Cc1[nH]cnc1CC1CC2CCCn3c2c(c2ccccc23)C1=O.
What is the InChIKey of 7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one?
The InChIKey is UTZSHUHZXKSUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-12-16(22-11-21-12)10-14-9-13-5-4-8-23-17-7-3-2-6-15(17)18(19(13)23)20(14)24/h2-3,6-7,11,13-14H,4-5,8-10H2,1H3,(H,21,22).
What are the key properties of 7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one?
7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one has a molecular weight of 319.41 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methyl-1H-imidazol-4-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-8-one is sourced from PubChem (CID 54372224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).