2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine

C13H12ClN5 — CID 105370562

IUPAC2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2ccccc2n1-c1ncncc1Cl
InChIInChI=1S/C13H12ClN5/c14-9-7-16-8-17-13(9)19-11-4-2-1-3-10(11)18-12(19)5-6-15/h1-4,7-8H,5-6,15H2
InChIKeyCMGUOPAQZAPMRM-UHFFFAOYSA-N
MW273.73 g/mol
LogP1.97
Rot. Bonds3

About 2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine

2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine (PubChem CID 105370562) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine
PubChem CID105370562
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2ccccc2n1-c1ncncc1Cl
InChIInChI=1S/C13H12ClN5/c14-9-7-16-8-17-13(9)19-11-4-2-1-3-10(11)18-12(19)5-6-15/h1-4,7-8H,5-6,15H2
InChIKeyCMGUOPAQZAPMRM-UHFFFAOYSA-N
XLogP1.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine
CID 66320697
2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine
CID 63637547
2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine
CID 96668272
1-(5-chloropyrimidin-4-yl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]benzimidazole
CID 138570407
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine
CID 82486748
2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 55244547
2-(2-chloroethyl)-1-(2,5-dichlorophenyl)benzimidazole
CID 43666804
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914
5-[2-(2-aminoethyl)benzimidazol-1-yl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 154591707
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
CID 63637024

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine (CID 105370562) is 2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine is NCCc1nc2ccccc2n1-c1ncncc1Cl.
What is the InChIKey of 2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine?
The InChIKey is CMGUOPAQZAPMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c14-9-7-16-8-17-13(9)19-11-4-2-1-3-10(11)18-12(19)5-6-15/h1-4,7-8H,5-6,15H2.
What are the key properties of 2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine?
2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine has a molecular weight of 273.73 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloropyrimidin-4-yl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 105370562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).