N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine

C16H18N4 — CID 81254929

IUPACN-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1-n1cnc2ccccc21
InChIInChI=1S/C16H18N4/c1-2-8-17-10-13-11-18-9-7-15(13)20-12-19-14-5-3-4-6-16(14)20/h3-7,9,11-12,17H,2,8,10H2,1H3
InChIKeyNNUGEKCXPMQLOF-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.92
Rot. Bonds5

About N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine

N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81254929) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID81254929
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1-n1cnc2ccccc21
InChIInChI=1S/C16H18N4/c1-2-8-17-10-13-11-18-9-7-15(13)20-12-19-14-5-3-4-6-16(14)20/h3-7,9,11-12,17H,2,8,10H2,1H3
InChIKeyNNUGEKCXPMQLOF-UHFFFAOYSA-N
XLogP2.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylphenyl)benzimidazole
CID 22078308
4-(benzimidazol-1-yl)pyridin-3-amine
CID 28890030
N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81253654
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81248433
N-[(4-indazol-1-yl-3-pyridinyl)methyl]ethanamine
CID 81255177
[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride
CID 75529767
N-[[4-(2,5-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81246776
N-[[4-(3-ethyl-4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81247713
1-[2-(propylaminomethyl)phenyl]imidazole-4,5-dicarbonitrile
CID 115944844
N-[[4-(benzimidazol-1-yl)-3-fluorophenyl]methyl]ethanamine
CID 43282216
1-(3-ethyl-2-pyridinyl)benzimidazole
CID 148503736

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 81254929) is N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnccc1-n1cnc2ccccc21.
What is the InChIKey of N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is NNUGEKCXPMQLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-8-17-10-13-11-18-9-7-15(13)20-12-19-14-5-3-4-6-16(14)20/h3-7,9,11-12,17H,2,8,10H2,1H3.
What are the key properties of N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81254929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).