2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine

C26H27N3 — CID 22891102

IUPAC2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine
SMILESCc1nc2c(N)cccc2n1CCCCC1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H27N3/c1-18-28-25-23(27)14-9-15-24(25)29(18)17-8-7-16-26(2)21-12-5-3-10-19(21)20-11-4-6-13-22(20)26/h3-6,9-15H,7-8,16-17,27H2,1-2H3
InChIKeyUGSXXEAFFXWWGN-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.08
Rot. Bonds5

About 2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine

2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine (PubChem CID 22891102) has the molecular formula C26H27N3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine.

Molecular Properties

Compound Name2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine
PubChem CID22891102
Molecular FormulaC26H27N3
Molecular Weight381.52 g/mol
Exact Mass381.22
IUPAC Name2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine
SMILESCc1nc2c(N)cccc2n1CCCCC1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H27N3/c1-18-28-25-23(27)14-9-15-24(25)29(18)17-8-7-16-26(2)21-12-5-3-10-19(21)20-11-4-6-13-22(20)26/h3-6,9-15H,7-8,16-17,27H2,1-2H3
InChIKeyUGSXXEAFFXWWGN-UHFFFAOYSA-N
XLogP6.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[3-(4-methylphenoxy)propyl]benzimidazol-4-amine
CID 82067153
2-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
CID 82067161
2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine
CID 82067840
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propan-1-ol
CID 82068272
2-(4-amino-2-methylbenzimidazol-1-yl)-N-ethyl-N-phenylacetamide
CID 93215409
2-(4-amino-2-methylbenzimidazol-1-yl)-N-propylacetamide
CID 82067163
2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine
CID 82067689
1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine
CID 82068115
3-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82068264
1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
CID 82067688
3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol
CID 82067574
9-methyl-9-propylfluorene
CID 13283188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine?
The IUPAC name of 2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine (CID 22891102) is 2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine.
What is the SMILES notation for 2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine?
The canonical SMILES for 2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine is Cc1nc2c(N)cccc2n1CCCCC1(C)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine?
The InChIKey is UGSXXEAFFXWWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3/c1-18-28-25-23(27)14-9-15-24(25)29(18)17-8-7-16-26(2)21-12-5-3-10-19(21)20-11-4-6-13-22(20)26/h3-6,9-15H,7-8,16-17,27H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine?
2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine has a molecular weight of 381.52 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(9-methylfluoren-9-yl)butyl]benzimidazol-4-amine is sourced from PubChem (CID 22891102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).