2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole

C29H32N4 — CID 42640237

IUPAC2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole
SMILESCN1CCC(CCCCn2ccc3c(-c4nc5cc6ccccc6cc5[nH]4)cccc32)CC1
InChIInChI=1S/C29H32N4/c1-32-16-12-21(13-17-32)7-4-5-15-33-18-14-24-25(10-6-11-28(24)33)29-30-26-19-22-8-2-3-9-23(22)20-27(26)31-29/h2-3,6,8-11,14,18-21H,4-5,7,12-13,15-17H2,1H3,(H,30,31)
InChIKeyYGNQMLFGVHHWLC-UHFFFAOYSA-N
MW436.60 g/mol
LogP6.85
Rot. Bonds6

About 2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole

2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole (PubChem CID 42640237) has the molecular formula C29H32N4 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole.

Molecular Properties

Compound Name2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole
PubChem CID42640237
Molecular FormulaC29H32N4
Molecular Weight436.60 g/mol
Exact Mass436.26
IUPAC Name2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole
SMILESCN1CCC(CCCCn2ccc3c(-c4nc5cc6ccccc6cc5[nH]4)cccc32)CC1
InChIInChI=1S/C29H32N4/c1-32-16-12-21(13-17-32)7-4-5-15-33-18-14-24-25(10-6-11-28(24)33)29-30-26-19-22-8-2-3-9-23(22)20-27(26)31-29/h2-3,6,8-11,14,18-21H,4-5,7,12-13,15-17H2,1H3,(H,30,31)
InChIKeyYGNQMLFGVHHWLC-UHFFFAOYSA-N
XLogP6.85
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-6-phenyl-1H-benzimidazole
CID 141392150
2-[3-chloro-1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-3H-benzimidazole-5-carboxylic acid
CID 68875766
4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole
CID 66741019
5-(6-methoxy-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
CID 24804548
methyl [2-[6-[3-(1-methylpiperidin-4-yl)propylamino]-3-pyridinyl]-3H-benzimidazol-5-yl] carbonate
CID 68657468
methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate
CID 24751754
5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
CID 24804884
1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole
CID 91188508
3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 121256577
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
4-methyl-1-(2-piperidin-4-ylethyl)indole
CID 61348096
1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine
CID 67436582

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole?
The IUPAC name of 2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole (CID 42640237) is 2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole.
What is the SMILES notation for 2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole?
The canonical SMILES for 2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole is CN1CCC(CCCCn2ccc3c(-c4nc5cc6ccccc6cc5[nH]4)cccc32)CC1.
What is the InChIKey of 2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole?
The InChIKey is YGNQMLFGVHHWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4/c1-32-16-12-21(13-17-32)7-4-5-15-33-18-14-24-25(10-6-11-28(24)33)29-30-26-19-22-8-2-3-9-23(22)20-27(26)31-29/h2-3,6,8-11,14,18-21H,4-5,7,12-13,15-17H2,1H3,(H,30,31).
What are the key properties of 2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole?
2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole has a molecular weight of 436.60 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole is sourced from PubChem (CID 42640237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).