N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide

C21H20N6O — CID 10384652

IUPACN-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)ncn2-c1cncc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C21H20N6O/c1-14(16-6-4-3-5-7-16)24-20-11-22-12-21(26-20)27-13-23-18-10-17(25-15(2)28)8-9-19(18)27/h3-14H,1-2H3,(H,24,26)(H,25,28)/t14-/m0/s1
InChIKeyBOSNHXOQHRBDCM-AWEZNQCLSA-N
MW372.43 g/mol
LogP3.95
Rot. Bonds5

About N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide

N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide (PubChem CID 10384652) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide
PubChem CID10384652
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)ncn2-c1cncc(N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C21H20N6O/c1-14(16-6-4-3-5-7-16)24-20-11-22-12-21(26-20)27-13-23-18-10-17(25-15(2)28)8-9-19(18)27/h3-14H,1-2H3,(H,24,26)(H,25,28)/t14-/m0/s1
InChIKeyBOSNHXOQHRBDCM-AWEZNQCLSA-N
XLogP3.95
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]propanamide
CID 10476898
N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 85141042
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]benzamide
CID 10433058
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]piperidine-3-carboxamide
CID 10252763
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]prop-2-enamide
CID 59783930
N-[3-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]pyrazine-2-carboxamide
CID 10026029
6-imidazo[4,5-c]pyridin-3-yl-N-[(1S)-1-phenylethyl]pyrazin-2-amine
CID 10358390
3-[6-[[(1R)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazole-5-carbonitrile
CID 58869930
6-(benzimidazol-1-yl)-N-[(1S)-1-(4-bromophenyl)ethyl]pyrazin-2-amine
CID 10408302
morpholin-4-yl-[3-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]methanone
CID 85081614
2,2-dimethyl-N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]propanamide
CID 59924879

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide?
The IUPAC name of N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide (CID 10384652) is N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)ncn2-c1cncc(N[C@@H](C)c2ccccc2)n1.
What is the InChIKey of N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide?
The InChIKey is BOSNHXOQHRBDCM-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N6O/c1-14(16-6-4-3-5-7-16)24-20-11-22-12-21(26-20)27-13-23-18-10-17(25-15(2)28)8-9-19(18)27/h3-14H,1-2H3,(H,24,26)(H,25,28)/t14-/m0/s1.
What are the key properties of N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide?
N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[[(1S)-1-phenylethyl]amino]pyrazin-2-yl]benzimidazol-5-yl]acetamide is sourced from PubChem (CID 10384652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).