2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine

C14H15N5 — CID 79753296

IUPAC2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
SMILESCn1c(CC(N)c2ncccn2)nc2ccccc21
InChIInChI=1S/C14H15N5/c1-19-12-6-3-2-5-11(12)18-13(19)9-10(15)14-16-7-4-8-17-14/h2-8,10H,9,15H2,1H3
InChIKeyLKKXRGGUYUYBBZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.61
Rot. Bonds3

About 2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine

2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine (PubChem CID 79753296) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
PubChem CID79753296
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
SMILESCn1c(CC(N)c2ncccn2)nc2ccccc21
InChIInChI=1S/C14H15N5/c1-19-12-6-3-2-5-11(12)18-13(19)9-10(15)14-16-7-4-8-17-14/h2-8,10H,9,15H2,1H3
InChIKeyLKKXRGGUYUYBBZ-UHFFFAOYSA-N
XLogP1.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79756292
1-(4-bromophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753790
1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753862
2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105164906
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105164893
[1-(3-chloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethyl]hydrazine
CID 103445919
1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105065815
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402
1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007600
5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79953293

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine (CID 79753296) is 2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine is Cn1c(CC(N)c2ncccn2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine?
The InChIKey is LKKXRGGUYUYBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-19-12-6-3-2-5-11(12)18-13(19)9-10(15)14-16-7-4-8-17-14/h2-8,10H,9,15H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine?
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 79753296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).