5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one

C19H31N5O2 — CID 157018929

IUPAC5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
SMILESCn1cnc(C(=O)N2CCCCNC(=O)CC3CCCCN3CCC2)c1
InChIInChI=1S/C19H31N5O2/c1-22-14-17(21-15-22)19(26)24-10-5-3-8-20-18(25)13-16-7-2-4-9-23(16)11-6-12-24/h14-16H,2-13H2,1H3,(H,20,25)
InChIKeySAWFMCVDKRPTFV-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.41
Rot. Bonds1

About 5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one

5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one (PubChem CID 157018929) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one.

Molecular Properties

Compound Name5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
PubChem CID157018929
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
SMILESCn1cnc(C(=O)N2CCCCNC(=O)CC3CCCCN3CCC2)c1
InChIInChI=1S/C19H31N5O2/c1-22-14-17(21-15-22)19(26)24-10-5-3-8-20-18(25)13-16-7-2-4-9-23(16)11-6-12-24/h14-16H,2-13H2,1H3,(H,20,25)
InChIKeySAWFMCVDKRPTFV-UHFFFAOYSA-N
XLogP1.41
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
6-(1H-pyrrole-3-carbonyl)-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157020363
5-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157016289
5-(3-methylbutanoyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157013855
5-[3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157017032
3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][1,4]diazepin-2-one
CID 565959
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
5-(2-cyclopropylquinoline-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157016747
6-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157014979
(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 107971610
6-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157018108
(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone
CID 118771341

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one?
The IUPAC name of 5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one (CID 157018929) is 5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one.
What is the SMILES notation for 5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one?
The canonical SMILES for 5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one is Cn1cnc(C(=O)N2CCCCNC(=O)CC3CCCCN3CCC2)c1.
What is the InChIKey of 5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one?
The InChIKey is SAWFMCVDKRPTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-22-14-17(21-15-22)19(26)24-10-5-3-8-20-18(25)13-16-7-2-4-9-23(16)11-6-12-24/h14-16H,2-13H2,1H3,(H,20,25).
What are the key properties of 5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one?
5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one has a molecular weight of 361.49 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazole-4-carbonyl)-1,5,10-triazabicyclo[11.4.0]heptadecan-11-one is sourced from PubChem (CID 157018929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).