N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine

C17H19N3 — CID 62447048

IUPACN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C17H19N3/c1-2-18-11-14-7-9-15(10-8-14)12-20-13-19-16-5-3-4-6-17(16)20/h3-10,13,18H,2,11-12H2,1H3
InChIKeyNLGCHPFUFSHUIT-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.19
Rot. Bonds5

About N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine (PubChem CID 62447048) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
PubChem CID62447048
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C17H19N3/c1-2-18-11-14-7-9-15(10-8-14)12-20-13-19-16-5-3-4-6-17(16)20/h3-10,13,18H,2,11-12H2,1H3
InChIKeyNLGCHPFUFSHUIT-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
N-[[5-(benzimidazol-1-ylmethyl)furan-2-yl]methyl]ethanamine
CID 62447423
1-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-butylurea
CID 48915751
1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole
CID 143780945
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-hydroxycyclobutane-1-carboxamide
CID 99777967
1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole
CID 40698685
3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 48962776
3-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 48962748
5-(benzimidazol-1-ylmethyl)-N-methylpyridin-2-amine
CID 62207288
3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 49086261
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-chloropyridin-4-amine
CID 133360495
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine (CID 62447048) is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine is CCNCc1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine?
The InChIKey is NLGCHPFUFSHUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-18-11-14-7-9-15(10-8-14)12-20-13-19-16-5-3-4-6-17(16)20/h3-10,13,18H,2,11-12H2,1H3.
What are the key properties of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine?
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62447048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).