3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide

C20H18N6O — CID 49086261

IUPAC3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C20H18N6O/c21-19-18(22-9-10-23-19)20(27)24-11-14-5-7-15(8-6-14)12-26-13-25-16-3-1-2-4-17(16)26/h1-10,13H,11-12H2,(H2,21,23)(H,24,27)
InChIKeyKWNGBCHKMVYDSF-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.39
Rot. Bonds5

About 3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide

3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 49086261) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
PubChem CID49086261
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C20H18N6O/c21-19-18(22-9-10-23-19)20(27)24-11-14-5-7-15(8-6-14)12-26-13-25-16-3-1-2-4-17(16)26/h1-10,13H,11-12H2,(H2,21,23)(H,24,27)
InChIKeyKWNGBCHKMVYDSF-UHFFFAOYSA-N
XLogP2.39
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-imidazol-1-ylpropanamide
CID 49046843
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
CID 99777967
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-butylurea
CID 48915751
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-oxochromene-3-carboxamide
CID 49047426
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 49047342
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-butyl-6-oxopyridazine-3-carboxamide
CID 49047307
2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799330
(2S,5R)-5-(aminomethyl)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120799328
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 60604713
(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122081440

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide (CID 49086261) is 3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of 3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is KWNGBCHKMVYDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-19-18(22-9-10-23-19)20(27)24-11-14-5-7-15(8-6-14)12-26-13-25-16-3-1-2-4-17(16)26/h1-10,13H,11-12H2,(H2,21,23)(H,24,27).
What are the key properties of 3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 49086261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).