6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide

C17H19FN8O — CID 142771048

IUPAC6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCNc1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
InChIInChI=1S/C17H19FN8O/c1-20-13-8-22-14(9-21-13)25-2-4-26(5-3-25)17-23-12-7-10(18)6-11(16(19)27)15(12)24-17/h6-9H,2-5H2,1H3,(H2,19,27)(H,20,21)(H,23,24)
InChIKeyAOAMZSIWFTXFDY-UHFFFAOYSA-N
MW370.39 g/mol
LogP0.96
Rot. Bonds4

About 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide

6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 142771048) has the molecular formula C17H19FN8O and a molecular weight of 370.39 g/mol. Its IUPAC name is 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
PubChem CID142771048
Molecular FormulaC17H19FN8O
Molecular Weight370.39 g/mol
Exact Mass370.17
IUPAC Name6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
SMILESCNc1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1
InChIInChI=1S/C17H19FN8O/c1-20-13-8-22-14(9-21-13)25-2-4-26(5-3-25)17-23-12-7-10(18)6-11(16(19)27)15(12)24-17/h6-9H,2-5H2,1H3,(H2,19,27)(H,20,21)(H,23,24)
InChIKeyAOAMZSIWFTXFDY-UHFFFAOYSA-N
XLogP0.96
TPSA116.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-fluoro-2-[4-[5-(methylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
CID 87055958
ethane;6-fluoro-2-(4-pyrimidin-4-ylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
CID 144759897
6-fluoro-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
CID 87056116
2-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 87056658
2-piperazin-1-yl-6-pyrrolidin-1-yl-1H-benzimidazole-4-carboxamide
CID 18428097
2-[4-[5-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
CID 87055718
2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide
CID 121385112
4,6-difluoro-2-piperazin-1-yl-1H-benzimidazole
CID 84629087
2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
CID 18428214
2-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
CID 18428278
2-[4-[(cyclobutylamino)methyl]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 16727191
N-(5-pyrrolidin-1-ylpyrazin-2-yl)acetamide
CID 146233118

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide (CID 142771048) is 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide is CNc1cnc(N2CCN(c3nc4c(C(N)=O)cc(F)cc4[nH]3)CC2)cn1.
What is the InChIKey of 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is AOAMZSIWFTXFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN8O/c1-20-13-8-22-14(9-21-13)25-2-4-26(5-3-25)17-23-12-7-10(18)6-11(16(19)27)15(12)24-17/h6-9H,2-5H2,1H3,(H2,19,27)(H,20,21)(H,23,24).
What are the key properties of 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide?
6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-[5-(methylamino)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 142771048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).