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

C20H16FN9 — CID 11350139

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine
SMILESC[C@H](Nc1cncc(-n2cnc3cc(-c4nn[nH]n4)ccc32)n1)c1ccc(F)cc1
InChIInChI=1S/C20H16FN9/c1-12(13-2-5-15(21)6-3-13)24-18-9-22-10-19(25-18)30-11-23-16-8-14(4-7-17(16)30)20-26-28-29-27-20/h2-12H,1H3,(H,24,25)(H,26,27,28,29)/t12-/m0/s1
InChIKeyMNPKUXBZRADVEX-LBPRGKRZSA-N
MW401.41 g/mol
LogP3.31
Rot. Bonds5

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

N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine (PubChem CID 11350139) has the molecular formula C20H16FN9 and a molecular weight of 401.41 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine
PubChem CID11350139
Molecular FormulaC20H16FN9
Molecular Weight401.41 g/mol
Exact Mass401.15
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine
SMILESC[C@H](Nc1cncc(-n2cnc3cc(-c4nn[nH]n4)ccc32)n1)c1ccc(F)cc1
InChIInChI=1S/C20H16FN9/c1-12(13-2-5-15(21)6-3-13)24-18-9-22-10-19(25-18)30-11-23-16-8-14(4-7-17(16)30)20-26-28-29-27-20/h2-12H,1H3,(H,24,25)(H,26,27,28,29)/t12-/m0/s1
InChIKeyMNPKUXBZRADVEX-LBPRGKRZSA-N
XLogP3.31
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.31
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
1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide
CID 85152916
6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine
CID 10408302
6-[6-[[4-(2-aminoethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 11442892
N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide
CID 10384652
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
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N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]benzamide
CID 10433058
N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 85141042
3-[6-[[(1R)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
CID 58869930
N-(3-morpholin-4-ylpropyl)-1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carboxamide
CID 10368118
N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine (CID 11350139) is N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine is C[C@H](Nc1cncc(-n2cnc3cc(-c4nn[nH]n4)ccc32)n1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine?
The InChIKey is MNPKUXBZRADVEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H16FN9/c1-12(13-2-5-15(21)6-3-13)24-18-9-22-10-19(25-18)30-11-23-16-8-14(4-7-17(16)30)20-26-28-29-27-20/h2-12H,1H3,(H,24,25)(H,26,27,28,29)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine?
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine has a molecular weight of 401.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[5-(2H-tetrazol-5-yl)benzimidazol-1-yl]pyrazin-2-amine is sourced from PubChem (CID 11350139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).