7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one

C27H23N3O2 — CID 51030517

IUPAC7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one
SMILESCn1cnc2ccc3c(=O)c(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)oc3c21
InChIInChI=1S/C27H23N3O2/c1-30-16-29-21-13-12-20-24(31)22(17-8-10-19(11-9-17)27(28)14-5-15-27)25(32-26(20)23(21)30)18-6-3-2-4-7-18/h2-4,6-13,16H,5,14-15,28H2,1H3
InChIKeyLYCZDTMCGMCCKL-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.35
Rot. Bonds3

About 7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one

7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one (PubChem CID 51030517) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one.

Molecular Properties

Compound Name7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one
PubChem CID51030517
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one
SMILESCn1cnc2ccc3c(=O)c(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)oc3c21
InChIInChI=1S/C27H23N3O2/c1-30-16-29-21-13-12-20-24(31)22(17-8-10-19(11-9-17)27(28)14-5-15-27)25(32-26(20)23(21)30)18-6-3-2-4-7-18/h2-4,6-13,16H,5,14-15,28H2,1H3
InChIKeyLYCZDTMCGMCCKL-UHFFFAOYSA-N
XLogP5.35
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one
CID 67067831
7-[4-(1-aminocyclobutyl)phenyl]-3-iodo-8-phenyl-2H-pyrano[3,2-g]indazol-6-one
CID 51030518
3-[4-(1-aminocyclobutyl)phenyl]-8-(difluoromethoxy)-2-phenylpyrano[2,3-c]pyridin-4-one
CID 51029590
3-[4-(1-aminocyclobutyl)phenyl]-2-phenyl-8-(1H-pyrazol-4-yl)chromen-4-one;hydrochloride
CID 67067845
4-[3-[4-(1-aminocyclobutyl)phenyl]-4-oxo-2-phenylchromen-8-yl]piperazin-2-one
CID 51030232
tert-butyl N-[1-[4-[6-oxo-8-phenyl-1-(2-trimethylsilylethoxymethyl)pyrano[2,3-e]benzimidazol-7-yl]phenyl]cyclobutyl]carbamate
CID 67067791
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylfuro[2,3-b]pyridin-5-amine;trihydrochloride
CID 131740571
1-[4-(3-phenylfuro[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine
CID 52933258
7-[4-[1-[3-[4-(1-aminocyclobutyl)phenyl]-6-fluoro-4-oxo-2-phenylchromen-5-yl]cyclobutyl]phenyl]-3-iodo-8-phenyl-2H-pyrano[3,2-g]indazol-6-one
CID 123227052
CID 87256779
CID 87256779
6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 71073494
2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one
CID 161155723

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one?
The IUPAC name of 7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one (CID 51030517) is 7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one.
What is the SMILES notation for 7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one?
The canonical SMILES for 7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one is Cn1cnc2ccc3c(=O)c(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)oc3c21.
What is the InChIKey of 7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one?
The InChIKey is LYCZDTMCGMCCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c1-30-16-29-21-13-12-20-24(31)22(17-8-10-19(11-9-17)27(28)14-5-15-27)25(32-26(20)23(21)30)18-6-3-2-4-7-18/h2-4,6-13,16H,5,14-15,28H2,1H3.
What are the key properties of 7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one?
7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one has a molecular weight of 421.50 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one is sourced from PubChem (CID 51030517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).