N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C20H15N7O — CID 171315714

IUPACN-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc2ccccc2n1-c1ccc(NC(=O)c2nc3ncccn3n2)cc1
InChIInChI=1S/C20H15N7O/c1-13-22-16-5-2-3-6-17(16)27(13)15-9-7-14(8-10-15)23-19(28)18-24-20-21-11-4-12-26(20)25-18/h2-12H,1H3,(H,23,28)
InChIKeyYIFQWFCIOMSSFS-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.02
Rot. Bonds3

About N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 171315714) has the molecular formula C20H15N7O and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID171315714
Molecular FormulaC20H15N7O
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC NameN-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nc2ccccc2n1-c1ccc(NC(=O)c2nc3ncccn3n2)cc1
InChIInChI=1S/C20H15N7O/c1-13-22-16-5-2-3-6-17(16)27(13)15-9-7-14(8-10-15)23-19(28)18-24-20-21-11-4-12-26(20)25-18/h2-12H,1H3,(H,23,28)
InChIKeyYIFQWFCIOMSSFS-UHFFFAOYSA-N
XLogP3.02
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 171315714) is N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nc2ccccc2n1-c1ccc(NC(=O)c2nc3ncccn3n2)cc1.
What is the InChIKey of N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YIFQWFCIOMSSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O/c1-13-22-16-5-2-3-6-17(16)27(13)15-9-7-14(8-10-15)23-19(28)18-24-20-21-11-4-12-26(20)25-18/h2-12H,1H3,(H,23,28).
What are the key properties of N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbenzimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 171315714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).