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

C26H32N4O — CID 71571144

IUPAC1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopentane-1,3'-indole]-2'-one
SMILESCC(C)CCn1c(CN2C(=O)C3(CCCC3)c3ccccc32)nc2cc(CN)ccc21
InChIInChI=1S/C26H32N4O/c1-18(2)11-14-29-23-10-9-19(16-27)15-21(23)28-24(29)17-30-22-8-4-3-7-20(22)26(25(30)31)12-5-6-13-26/h3-4,7-10,15,18H,5-6,11-14,16-17,27H2,1-2H3
InChIKeyOHLCUWXCUOAYGO-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.90
Rot. Bonds6

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

1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopentane-1,3'-indole]-2'-one (PubChem CID 71571144) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopentane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopentane-1,3'-indole]-2'-one
PubChem CID71571144
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopentane-1,3'-indole]-2'-one
SMILESCC(C)CCn1c(CN2C(=O)C3(CCCC3)c3ccccc32)nc2cc(CN)ccc21
InChIInChI=1S/C26H32N4O/c1-18(2)11-14-29-23-10-9-19(16-27)15-21(23)28-24(29)17-30-22-8-4-3-7-20(22)26(25(30)31)12-5-6-13-26/h3-4,7-10,15,18H,5-6,11-14,16-17,27H2,1-2H3
InChIKeyOHLCUWXCUOAYGO-UHFFFAOYSA-N
XLogP4.90
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopentane-1,3'-indole]-2'-one?
The IUPAC name of 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopentane-1,3'-indole]-2'-one (CID 71571144) is 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopentane-1,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopentane-1,3'-indole]-2'-one?
The canonical SMILES for 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopentane-1,3'-indole]-2'-one is CC(C)CCn1c(CN2C(=O)C3(CCCC3)c3ccccc32)nc2cc(CN)ccc21.
What is the InChIKey of 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopentane-1,3'-indole]-2'-one?
The InChIKey is OHLCUWXCUOAYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-18(2)11-14-29-23-10-9-19(16-27)15-21(23)28-24(29)17-30-22-8-4-3-7-20(22)26(25(30)31)12-5-6-13-26/h3-4,7-10,15,18H,5-6,11-14,16-17,27H2,1-2H3.
What are the key properties of 1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopentane-1,3'-indole]-2'-one?
1'-[[5-(aminomethyl)-1-(3-methylbutyl)benzimidazol-2-yl]methyl]spiro[cyclopentane-1,3'-indole]-2'-one has a molecular weight of 416.57 g/mol, XLogP of 4.90, 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[cyclopentane-1,3'-indole]-2'-one is sourced from PubChem (CID 71571144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).