9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine

C29H30N4 — CID 129126007

IUPAC9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine
SMILESCN1CCCC1c1ncc(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(N)ccc3-4)cc2)[nH]1
InChIInChI=1S/C29H30N4/c1-29(2)24-15-20(10-12-22(24)23-13-11-21(30)16-25(23)29)18-6-8-19(9-7-18)26-17-31-28(32-26)27-5-4-14-33(27)3/h6-13,15-17,27H,4-5,14,30H2,1-3H3,(H,31,32)
InChIKeyUMUFZPSIBUIWQE-UHFFFAOYSA-N
MW434.59 g/mol
LogP6.40
Rot. Bonds3

About 9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine

9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine (PubChem CID 129126007) has the molecular formula C29H30N4 and a molecular weight of 434.59 g/mol. Its IUPAC name is 9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine
PubChem CID129126007
Molecular FormulaC29H30N4
Molecular Weight434.59 g/mol
Exact Mass434.25
IUPAC Name9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine
SMILESCN1CCCC1c1ncc(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(N)ccc3-4)cc2)[nH]1
InChIInChI=1S/C29H30N4/c1-29(2)24-15-20(10-12-22(24)23-13-11-21(30)16-25(23)29)18-6-8-19(9-7-18)26-17-31-28(32-26)27-5-4-14-33(27)3/h6-13,15-17,27H,4-5,14,30H2,1-3H3,(H,31,32)
InChIKeyUMUFZPSIBUIWQE-UHFFFAOYSA-N
XLogP6.40
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-2-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidine
CID 143630216
5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
CID 129019197
2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole
CID 144563616
9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine
CID 145305491
5-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-2-nitroaniline
CID 118244741
[(2S)-2-[5-[4-[4-[2-(1-phosphanylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]phosphane
CID 126554399
[(2S)-1-[(2S)-2-[5-[7-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,9-dimethylfluoren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid
CID 68797791
methyl N-[(2S)-1-[2-[5-[4-(4-amino-2-chlorophenyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67494893
(2S)-2-amino-1-[2-[5-[4-[4-[2-[1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 25229825
(2S)-2-amino-1-[2-[5-[4-[4-[2-[(2S)-1-[(3S)-3-amino-4-methylpent-1-en-2-yl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 90151836
6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-methyl-5-azaspiro[2.4]heptane
CID 123850292
2-pyrrolidin-2-yl-5-[9,9,10,10-tetrafluoro-7-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenanthren-2-yl]-1H-imidazole
CID 144878023

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine (CID 129126007) is 9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine is CN1CCCC1c1ncc(-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(N)ccc3-4)cc2)[nH]1.
What is the InChIKey of 9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine?
The InChIKey is UMUFZPSIBUIWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4/c1-29(2)24-15-20(10-12-22(24)23-13-11-21(30)16-25(23)29)18-6-8-19(9-7-18)26-17-31-28(32-26)27-5-4-14-33(27)3/h6-13,15-17,27H,4-5,14,30H2,1-3H3,(H,31,32).
What are the key properties of 9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine?
9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine has a molecular weight of 434.59 g/mol, XLogP of 6.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-[4-[2-(1-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 129126007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).