4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide

C24H24N4O — CID 129067460

IUPAC4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide
SMILESO=C(NCc1ccccc1)c1ccc(CCNCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H24N4O/c29-24(26-16-19-6-2-1-3-7-19)20-12-10-18(11-13-20)14-15-25-17-23-27-21-8-4-5-9-22(21)28-23/h1-13,25H,14-17H2,(H,26,29)(H,27,28)
InChIKeyABLBGWVIQHRWSR-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.83
Rot. Bonds8

About 4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide

4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide (PubChem CID 129067460) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide.

Molecular Properties

Compound Name4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide
PubChem CID129067460
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide
SMILESO=C(NCc1ccccc1)c1ccc(CCNCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H24N4O/c29-24(26-16-19-6-2-1-3-7-19)20-12-10-18(11-13-20)14-15-25-17-23-27-21-8-4-5-9-22(21)28-23/h1-13,25H,14-17H2,(H,26,29)(H,27,28)
InChIKeyABLBGWVIQHRWSR-UHFFFAOYSA-N
XLogP3.83
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide
CID 112791088
N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide
CID 59825992
4-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 100577407
2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129067209
3-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 70065972
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
benzyl N-[6-(1H-benzimidazol-2-ylmethylamino)hexyl]carbamate
CID 20577728
N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfamoyl)benzamide
CID 18105180
N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide
CID 59826293
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide?
The IUPAC name of 4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide (CID 129067460) is 4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide.
What is the SMILES notation for 4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide?
The canonical SMILES for 4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide is O=C(NCc1ccccc1)c1ccc(CCNCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide?
The InChIKey is ABLBGWVIQHRWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c29-24(26-16-19-6-2-1-3-7-19)20-12-10-18(11-13-20)14-15-25-17-23-27-21-8-4-5-9-22(21)28-23/h1-13,25H,14-17H2,(H,26,29)(H,27,28).
What are the key properties of 4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide?
4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide is sourced from PubChem (CID 129067460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).