N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide

C17H19N5O — CID 110796168

IUPACN-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide
SMILESCC(C)n1cnc2cc(CCNC(=O)c3cnccn3)ccc21
InChIInChI=1S/C17H19N5O/c1-12(2)22-11-21-14-9-13(3-4-16(14)22)5-6-20-17(23)15-10-18-7-8-19-15/h3-4,7-12H,5-6H2,1-2H3,(H,20,23)
InChIKeySKIIFOATXKUYCJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.38
Rot. Bonds5

About N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide

N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 110796168) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide
PubChem CID110796168
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide
SMILESCC(C)n1cnc2cc(CCNC(=O)c3cnccn3)ccc21
InChIInChI=1S/C17H19N5O/c1-12(2)22-11-21-14-9-13(3-4-16(14)22)5-6-20-17(23)15-10-18-7-8-19-15/h3-4,7-12H,5-6H2,1-2H3,(H,20,23)
InChIKeySKIIFOATXKUYCJ-UHFFFAOYSA-N
XLogP2.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796167
2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide
CID 110791708
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110785908
3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
CID 63795096
N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844366
2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844785
N-[2-(1-methylindol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110745123
N-[2-[4-[[3-(3,5-dimethylpyrazol-1-yl)-3-oxopropyl]sulfamoyl]phenyl]ethyl]pyrazine-2-carboxamide
CID 70638448
3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115180781
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 47043769

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide (CID 110796168) is N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide is CC(C)n1cnc2cc(CCNC(=O)c3cnccn3)ccc21.
What is the InChIKey of N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is SKIIFOATXKUYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12(2)22-11-21-14-9-13(3-4-16(14)22)5-6-20-17(23)15-10-18-7-8-19-15/h3-4,7-12H,5-6H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 110796168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).