N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide

C14H13N5O2 — CID 91816283

IUPACN-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2nc3ccccc3[nH]2)ncn1
InChIInChI=1S/C14H13N5O2/c1-2-21-12-7-11(15-8-16-12)13(20)19-14-17-9-5-3-4-6-10(9)18-14/h3-8H,2H2,1H3,(H2,17,18,19,20)
InChIKeyNIYZIMQUWWTTQJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.00
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide

N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide (PubChem CID 91816283) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide
PubChem CID91816283
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2nc3ccccc3[nH]2)ncn1
InChIInChI=1S/C14H13N5O2/c1-2-21-12-7-11(15-8-16-12)13(20)19-14-17-9-5-3-4-6-10(9)18-14/h3-8H,2H2,1H3,(H2,17,18,19,20)
InChIKeyNIYZIMQUWWTTQJ-UHFFFAOYSA-N
XLogP2.00
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide
CID 24505737
N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167627
N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167671
6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 91816253
ethyl 2-[(6-ethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167557
N-(1H-benzimidazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 60551015
N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide
CID 121167679
N-(1H-benzimidazol-2-yl)-4-hydrazinylpyridine-2-carboxamide
CID 63563951
N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide
CID 18207711
N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide
CID 121167615
5-amino-N-(1H-benzimidazol-2-yl)pyridine-2-carboxamide
CID 81316691
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide (CID 91816283) is N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide is CCOc1cc(C(=O)Nc2nc3ccccc3[nH]2)ncn1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide?
The InChIKey is NIYZIMQUWWTTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-2-21-12-7-11(15-8-16-12)13(20)19-14-17-9-5-3-4-6-10(9)18-14/h3-8H,2H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide?
N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 91816283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).