5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole

C23H26FN5 — CID 42640591

IUPAC5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole
SMILESCc1c(F)ccc2[nH]c(-c3ccc4c(ccn4CCCN4CCNCC4)c3)nc12
InChIInChI=1S/C23H26FN5/c1-16-19(24)4-5-20-22(16)27-23(26-20)18-3-6-21-17(15-18)7-12-29(21)11-2-10-28-13-8-25-9-14-28/h3-7,12,15,25H,2,8-11,13-14H2,1H3,(H,26,27)
InChIKeyBJUAJCAKDHZELA-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.93
Rot. Bonds5

About 5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole

5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole (PubChem CID 42640591) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole
PubChem CID42640591
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole
SMILESCc1c(F)ccc2[nH]c(-c3ccc4c(ccn4CCCN4CCNCC4)c3)nc12
InChIInChI=1S/C23H26FN5/c1-16-19(24)4-5-20-22(16)27-23(26-20)18-3-6-21-17(15-18)7-12-29(21)11-2-10-28-13-8-25-9-14-28/h3-7,12,15,25H,2,8-11,13-14H2,1H3,(H,26,27)
InChIKeyBJUAJCAKDHZELA-UHFFFAOYSA-N
XLogP3.93
TPSA48.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-5-fluoro-4-methyl-1H-benzimidazole
CID 11395949
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
5-fluoro-4-methyl-2-[2-methyl-4-[3-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)propoxy]phenyl]-1H-benzimidazole
CID 46890675
2-[[5-(5-fluoro-4-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]methyl]-3-(1-methylpiperidin-4-yl)propan-1-amine
CID 68657960
1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
CID 154694205
4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole
CID 112556569
5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid
CID 65255255
N-methyl-1-[1-(3-pyrrolidin-1-ylpropyl)indol-5-yl]methanamine
CID 102915720
1-(3-morpholin-4-ylpropyl)indol-5-amine
CID 170992123
3-chloro-4-fluoro-N-[4-[[6-[1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 69136522
1-[3-(3-tert-butylpyrrol-1-yl)propyl]piperazine
CID 166501288
4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole
CID 84629087

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole?
The IUPAC name of 5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole (CID 42640591) is 5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole?
The canonical SMILES for 5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole is Cc1c(F)ccc2[nH]c(-c3ccc4c(ccn4CCCN4CCNCC4)c3)nc12.
What is the InChIKey of 5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole?
The InChIKey is BJUAJCAKDHZELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-16-19(24)4-5-20-22(16)27-23(26-20)18-3-6-21-17(15-18)7-12-29(21)11-2-10-28-13-8-25-9-14-28/h3-7,12,15,25H,2,8-11,13-14H2,1H3,(H,26,27).
What are the key properties of 5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole?
5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole has a molecular weight of 391.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-[1-(3-piperazin-1-ylpropyl)indol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 42640591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).