N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide

C21H17N5O — CID 51126740

IUPACN-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1nccn1Cc1ccccc1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C21H17N5O/c27-20(18-13-23-19(24-14-18)17-9-5-2-6-10-17)25-21-22-11-12-26(21)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,22,25,27)
InChIKeyWQDSIFHIKNRTPJ-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.64
Rot. Bonds5

About N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide

N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 51126740) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide
PubChem CID51126740
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1nccn1Cc1ccccc1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C21H17N5O/c27-20(18-13-23-19(24-14-18)17-9-5-2-6-10-17)25-21-22-11-12-26(21)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,22,25,27)
InChIKeyWQDSIFHIKNRTPJ-UHFFFAOYSA-N
XLogP3.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
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N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide (CID 51126740) is N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide is O=C(Nc1nccn1Cc1ccccc1)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is WQDSIFHIKNRTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-20(18-13-23-19(24-14-18)17-9-5-2-6-10-17)25-21-22-11-12-26(21)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,22,25,27).
What are the key properties of N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide?
N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 51126740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).