2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole

C39H46N6 — CID 144594020

IUPAC2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole
SMILESCN1CCCC1C1=NCC(c2ccc(-c3ccc(-c4ccc5nc(C6CCCN6C)[nH]c5c4)c4c3CCC43CCCC3)cc2)N1
InChIInChI=1S/C39H46N6/c1-44-21-5-7-34(44)37-40-24-33(43-37)26-11-9-25(10-12-26)28-14-15-29(36-30(28)17-20-39(36)18-3-4-19-39)27-13-16-31-32(23-27)42-38(41-31)35-8-6-22-45(35)2/h9-16,23,33-35H,3-8,17-22,24H2,1-2H3,(H,40,43)(H,41,42)
InChIKeySBGDNKKZQZYLHL-UHFFFAOYSA-N
MW598.84 g/mol
LogP7.56
Rot. Bonds5

About 2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole

2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole (PubChem CID 144594020) has the molecular formula C39H46N6 and a molecular weight of 598.84 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole
PubChem CID144594020
Molecular FormulaC39H46N6
Molecular Weight598.84 g/mol
Exact Mass598.38
IUPAC Name2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole
SMILESCN1CCCC1C1=NCC(c2ccc(-c3ccc(-c4ccc5nc(C6CCCN6C)[nH]c5c4)c4c3CCC43CCCC3)cc2)N1
InChIInChI=1S/C39H46N6/c1-44-21-5-7-34(44)37-40-24-33(43-37)26-11-9-25(10-12-26)28-14-15-29(36-30(28)17-20-39(36)18-3-4-19-39)27-13-16-31-32(23-27)42-38(41-31)35-8-6-22-45(35)2/h9-16,23,33-35H,3-8,17-22,24H2,1-2H3,(H,40,43)(H,41,42)
InChIKeySBGDNKKZQZYLHL-UHFFFAOYSA-N
XLogP7.56
TPSA59.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.84
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole with MolForge

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Related Compounds

tert-butyl 2-[6-[7-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 118319111
methyl N-[(2S)-3-methyl-1-[(2S)-2-[6-[7-[2-[(2S)-1-[(2S)-3-methyl-2-(propanoylamino)butanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]spiro[2,3-dihydroindene-1,1'-cyclobutane]-4-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 118319153
methyl N-[(2S)-1-[(2S)-2-[4-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]phenyl]-2,3-dihydro-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 144593958
methyl N-[1-[2-[4-[4-[7-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]phenyl]-2,5-dihydro-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123502661
methyl N-[(2S)-3-methyl-1-[(2S)-2-[6-[7-[2-[(2S)-1-(3-methylbutanoyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]spiro[2,3-dihydroindene-1,1'-cyclobutane]-4-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 129144321
9,9-difluoro-7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]fluoren-2-amine
CID 145305491
tert-butyl (2S)-2-[6-[4-(trifluoromethylsulfonyloxy)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclopentane]-1-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 129144354
2-(methylamino)-1-[2-[6-[7-[2-(1-methylpyrrolidin-2-yl)-3H-benzimidazol-5-yl]spiro[1,3-dihydroindene-2,1'-cyclohexane]-4-yl]-1H-benzimidazol-2-yl]-2,5-dihydropyrrol-1-yl]ethanone
CID 129019134
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623
(Z,3S)-1-N-(aminomethyl)-3-N-ethyl-1-[4-[7-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]phenyl]pent-1-ene-1,3-diamine
CID 144594030
methyl N-[(2S)-1-[(2S)-2-[4-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]spiro[2,3-dihydroindene-1,1'-cyclopentane]-4-yl]naphthalen-1-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 157101040
2-[6-[7-[4-[2-[1-[3-methyl-2-(methylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-1-yl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbaldehyde
CID 144593992

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole (CID 144594020) is 2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole is CN1CCCC1C1=NCC(c2ccc(-c3ccc(-c4ccc5nc(C6CCCN6C)[nH]c5c4)c4c3CCC43CCCC3)cc2)N1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole?
The InChIKey is SBGDNKKZQZYLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46N6/c1-44-21-5-7-34(44)37-40-24-33(43-37)26-11-9-25(10-12-26)28-14-15-29(36-30(28)17-20-39(36)18-3-4-19-39)27-13-16-31-32(23-27)42-38(41-31)35-8-6-22-45(35)2/h9-16,23,33-35H,3-8,17-22,24H2,1-2H3,(H,40,43)(H,41,42).
What are the key properties of 2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole?
2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole has a molecular weight of 598.84 g/mol, XLogP of 7.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)-6-[7-[4-[2-(1-methylpyrrolidin-2-yl)-4,5-dihydro-1H-imidazol-5-yl]phenyl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]-1H-benzimidazole is sourced from PubChem (CID 144594020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).