N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide

C12H8ClN5O — CID 116795202

IUPACN-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccnc(Cl)n1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H8ClN5O/c13-12-14-4-3-10(18-12)17-11(19)7-1-2-8-9(5-7)16-6-15-8/h1-6H,(H,15,16)(H,14,17,18,19)
InChIKeyIDZMUWPPMQCCRH-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.26
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide

N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 116795202) has the molecular formula C12H8ClN5O and a molecular weight of 273.68 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide
PubChem CID116795202
Molecular FormulaC12H8ClN5O
Molecular Weight273.68 g/mol
Exact Mass273.04
IUPAC NameN-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccnc(Cl)n1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H8ClN5O/c13-12-14-4-3-10(18-12)17-11(19)7-1-2-8-9(5-7)16-6-15-8/h1-6H,(H,15,16)(H,14,17,18,19)
InChIKeyIDZMUWPPMQCCRH-UHFFFAOYSA-N
XLogP2.26
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431
N-(2-chloropyrimidin-4-yl)-1H-indole-6-carboxamide
CID 116795223
N-(5-chloropyrazin-2-yl)-3H-benzimidazole-5-carboxamide
CID 107595732
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 64788874
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine
CID 88890559

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide (CID 116795202) is N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ccnc(Cl)n1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is IDZMUWPPMQCCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5O/c13-12-14-4-3-10(18-12)17-11(19)7-1-2-8-9(5-7)16-6-15-8/h1-6H,(H,15,16)(H,14,17,18,19).
What are the key properties of N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide?
N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 273.68 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 116795202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).