1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine

C14H15N5 — CID 62747856

IUPAC1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCC(NCc1ccncn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H15N5/c1-10(16-8-11-6-7-15-9-17-11)14-18-12-4-2-3-5-13(12)19-14/h2-7,9-10,16H,8H2,1H3,(H,18,19)
InChIKeyVTOJXOOXPBZQMT-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.20
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine

1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine (PubChem CID 62747856) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
PubChem CID62747856
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCC(NCc1ccncn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C14H15N5/c1-10(16-8-11-6-7-15-9-17-11)14-18-12-4-2-3-5-13(12)19-14/h2-7,9-10,16H,8H2,1H3,(H,18,19)
InChIKeyVTOJXOOXPBZQMT-UHFFFAOYSA-N
XLogP2.20
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60664275
1-(1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 60664241
1-(1H-benzimidazol-2-yl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 63668582
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
1-(1H-benzimidazol-2-yl)-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 60665126
1-(1H-benzimidazol-2-yl)-N-[(5-bromofuran-2-yl)methyl]ethanamine
CID 55023348
1-(1H-benzimidazol-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66397290
1-(1H-benzimidazol-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62673725
1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 66141196
1-(1H-benzimidazol-2-yl)-N-[(3-chloro-4-methylphenyl)methyl]ethanamine
CID 106816789
(1S)-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 81399207
1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62673724

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine (CID 62747856) is 1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine is CC(NCc1ccncn1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The InChIKey is VTOJXOOXPBZQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10(16-8-11-6-7-15-9-17-11)14-18-12-4-2-3-5-13(12)19-14/h2-7,9-10,16H,8H2,1H3,(H,18,19).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine?
1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine has a molecular weight of 253.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 62747856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).