6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine

C24H27FN6 — CID 11235457

IUPAC6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
SMILESCCN(CC)Cc1ccc2c(c1)ncn2-c1cncc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C24H27FN6/c1-4-30(5-2)15-18-6-11-22-21(12-18)27-16-31(22)24-14-26-13-23(29-24)28-17(3)19-7-9-20(25)10-8-19/h6-14,16-17H,4-5,15H2,1-3H3,(H,28,29)
InChIKeyBODVFQZGSBVBAW-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.97
Rot. Bonds8

About 6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine

6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine (PubChem CID 11235457) has the molecular formula C24H27FN6 and a molecular weight of 418.52 g/mol. Its IUPAC name is 6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
PubChem CID11235457
Molecular FormulaC24H27FN6
Molecular Weight418.52 g/mol
Exact Mass418.23
IUPAC Name6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
SMILESCCN(CC)Cc1ccc2c(c1)ncn2-c1cncc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C24H27FN6/c1-4-30(5-2)15-18-6-11-22-21(12-18)27-16-31(22)24-14-26-13-23(29-24)28-17(3)19-7-9-20(25)10-8-19/h6-14,16-17H,4-5,15H2,1-3H3,(H,28,29)
InChIKeyBODVFQZGSBVBAW-UHFFFAOYSA-N
XLogP4.97
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine
CID 11350139
6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 11442892
6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine
CID 10408302
1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide
CID 85152916
N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide
CID 10384652
N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 85141042
6-imidazo[4,5-c]pyridin-3-yl-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 10358390
2,2-dimethyl-N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]propanamide
CID 10476898
3-[6-[[(1R)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
CID 58869930
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]benzamide
CID 10433058
2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80801786
N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide
CID 10252763

Frequently Asked Questions

What is the IUPAC name of 6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine (CID 11235457) is 6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine is CCN(CC)Cc1ccc2c(c1)ncn2-c1cncc(NC(C)c2ccc(F)cc2)n1.
What is the InChIKey of 6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine?
The InChIKey is BODVFQZGSBVBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6/c1-4-30(5-2)15-18-6-11-22-21(12-18)27-16-31(22)24-14-26-13-23(29-24)28-17(3)19-7-9-20(25)10-8-19/h6-14,16-17H,4-5,15H2,1-3H3,(H,28,29).
What are the key properties of 6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine?
6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine has a molecular weight of 418.52 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 11235457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).