2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine

C14H15N5 — CID 55244547

IUPAC2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2ccccc2n1Cc1ncccn1
InChIInChI=1S/C14H15N5/c15-7-6-14-18-11-4-1-2-5-12(11)19(14)10-13-16-8-3-9-17-13/h1-5,8-9H,6-7,10,15H2
InChIKeyUSXUDIIDBYQDFG-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.38
Rot. Bonds4

About 2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine

2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine (PubChem CID 55244547) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
PubChem CID55244547
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2ccccc2n1Cc1ncccn1
InChIInChI=1S/C14H15N5/c15-7-6-14-18-11-4-1-2-5-12(11)19(14)10-13-16-8-3-9-17-13/h1-5,8-9H,6-7,10,15H2
InChIKeyUSXUDIIDBYQDFG-UHFFFAOYSA-N
XLogP1.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
CID 63637024
2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357
2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanamine
CID 63636171
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide
CID 63636509
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
CID 116627019
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine
CID 55244166
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-[(1-ethylimidazol-2-yl)methyl]-2-propylbenzimidazole
CID 116626980
3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine
CID 79750873
1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one
CID 82899574

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine (CID 55244547) is 2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine is NCCc1nc2ccccc2n1Cc1ncccn1.
What is the InChIKey of 2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine?
The InChIKey is USXUDIIDBYQDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-7-6-14-18-11-4-1-2-5-12(11)19(14)10-13-16-8-3-9-17-13/h1-5,8-9H,6-7,10,15H2.
What are the key properties of 2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine?
2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 55244547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).