1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one

C24H28N4O — CID 71571142

IUPAC1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one
SMILESCC(C)CCn1c(CN2C(=O)C3(CC3)c3ccccc32)nc2cc(CN)ccc21
InChIInChI=1S/C24H28N4O/c1-16(2)9-12-27-21-8-7-17(14-25)13-19(21)26-22(27)15-28-20-6-4-3-5-18(20)24(10-11-24)23(28)29/h3-8,13,16H,9-12,14-15,25H2,1-2H3
InChIKeyBQFOWIQRJVRYBL-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.12
Rot. Bonds6

About 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one

1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 71571142) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID71571142
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one
SMILESCC(C)CCn1c(CN2C(=O)C3(CC3)c3ccccc32)nc2cc(CN)ccc21
InChIInChI=1S/C24H28N4O/c1-16(2)9-12-27-21-8-7-17(14-25)13-19(21)26-22(27)15-28-20-6-4-3-5-18(20)24(10-11-24)23(28)29/h3-8,13,16H,9-12,14-15,25H2,1-2H3
InChIKeyBQFOWIQRJVRYBL-UHFFFAOYSA-N
XLogP4.12
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Tanogitran
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CID 11503459
Benzenecarboximidamide, 4-(((1-methyl-5-(1-(1-pyrrolidinylcarbonyl)cyclopropyl)-1H-benzimidazol-2-yl)methyl)amino)-
CID 9953722
2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11960733
2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190732
N-Cyclopentyl-1-(1-isopropyl-5,6-dimethyl-1H-benzo[d]imidazol-2-yl)piperidine-4-carboxamide
CID 67033699
2-Pyrrolidinecarboxamide,N-[1,1'-biphenyl]-2-yl-1-[3-(1-methyl-1H-benzimidazol-2-yl)-1-oxopropyl]-,(2S)-
CID 44454877
1'-[[5-(Aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 132016497
1'-[[5-(Aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridine]-2'-one
CID 132016505
1-[(1-Methylbenzimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 4798604
N-[(1S)-3-[(1S,5R)-6-(2-methylbenzimidazol-1-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-phenyl-propyl]cyclobutanecarboxamide
CID 11690481

Frequently Asked Questions

What is the IUPAC name of 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one (CID 71571142) is 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one is CC(C)CCn1c(CN2C(=O)C3(CC3)c3ccccc32)nc2cc(CN)ccc21.
What is the InChIKey of 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is BQFOWIQRJVRYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-16(2)9-12-27-21-8-7-17(14-25)13-19(21)26-22(27)15-28-20-6-4-3-5-18(20)24(10-11-24)23(28)29/h3-8,13,16H,9-12,14-15,25H2,1-2H3.
What are the key properties of 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one?
1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 388.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 71571142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).