6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine

C26H31FN8 — CID 11442892

IUPAC6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine
SMILESC[C@H](Nc1cncc(-n2cnc3ccc(CN4CCN(CCN)CC4)cc32)n1)c1ccc(F)cc1
InChIInChI=1S/C26H31FN8/c1-19(21-3-5-22(27)6-4-21)31-25-15-29-16-26(32-25)35-18-30-23-7-2-20(14-24(23)35)17-34-12-10-33(9-8-28)11-13-34/h2-7,14-16,18-19H,8-13,17,28H2,1H3,(H,31,32)/t19-/m0/s1
InChIKeyTZRISTXBGGVHRZ-IBGZPJMESA-N
MW474.59 g/mol
LogP3.20
Rot. Bonds8

About 6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine

6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine (PubChem CID 11442892) has the molecular formula C26H31FN8 and a molecular weight of 474.59 g/mol. Its IUPAC name is 6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine
PubChem CID11442892
Molecular FormulaC26H31FN8
Molecular Weight474.59 g/mol
Exact Mass474.27
IUPAC Name6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine
SMILESC[C@H](Nc1cncc(-n2cnc3ccc(CN4CCN(CCN)CC4)cc32)n1)c1ccc(F)cc1
InChIInChI=1S/C26H31FN8/c1-19(21-3-5-22(27)6-4-21)31-25-15-29-16-26(32-25)35-18-30-23-7-2-20(14-24(23)35)17-34-12-10-33(9-8-28)11-13-34/h2-7,14-16,18-19H,8-13,17,28H2,1H3,(H,31,32)/t19-/m0/s1
InChIKeyTZRISTXBGGVHRZ-IBGZPJMESA-N
XLogP3.20
TPSA88.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[5-(diethylaminomethyl)benzimidazol-1-yl]-N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 11235457
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine
CID 11350139
3-[6-[[(1R)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
CID 58869930
morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone
CID 85081614
1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide
CID 85152916
N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide
CID 10368118
N-(3-imidazol-1-ylpropyl)-3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide
CID 10479664
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide
CID 10026029
N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide
CID 10384652
N-[3-[6-[[(2S)-butan-2-yl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 11416423
N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 85141042
3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine
CID 69174008

Frequently Asked Questions

What is the IUPAC name of 6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine (CID 11442892) is 6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine is C[C@H](Nc1cncc(-n2cnc3ccc(CN4CCN(CCN)CC4)cc32)n1)c1ccc(F)cc1.
What is the InChIKey of 6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine?
The InChIKey is TZRISTXBGGVHRZ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H31FN8/c1-19(21-3-5-22(27)6-4-21)31-25-15-29-16-26(32-25)35-18-30-23-7-2-20(14-24(23)35)17-34-12-10-33(9-8-28)11-13-34/h2-7,14-16,18-19H,8-13,17,28H2,1H3,(H,31,32)/t19-/m0/s1.
What are the key properties of 6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine?
6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine has a molecular weight of 474.59 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 11442892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).