N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide

C19H21N3O — CID 110791656

IUPACN-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCc2ccc3c(c2)ncn3C)cc1
InChIInChI=1S/C19H21N3O/c1-14-3-5-15(6-4-14)12-19(23)20-10-9-16-7-8-18-17(11-16)21-13-22(18)2/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,23)
InChIKeyQHXOEQVDWSCLBN-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide

N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 110791656) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
PubChem CID110791656
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCCc2ccc3c(c2)ncn3C)cc1
InChIInChI=1S/C19H21N3O/c1-14-3-5-15(6-4-14)12-19(23)20-10-9-16-7-8-18-17(11-16)21-13-22(18)2/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,23)
InChIKeyQHXOEQVDWSCLBN-UHFFFAOYSA-N
XLogP2.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115162649
3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzamide
CID 110791606
3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115180781
N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
CID 115159038
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate
CID 110791642
3-acetamido-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzamide
CID 110796161
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 53014028
4-(1-methylbenzimidazol-5-yl)butanehydrazide
CID 116843638
(E)-4-[2-(1-methylbenzimidazol-5-yl)ethylamino]but-2-enoic acid
CID 115237307
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide (CID 110791656) is N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCCc2ccc3c(c2)ncn3C)cc1.
What is the InChIKey of N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is QHXOEQVDWSCLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-3-5-15(6-4-14)12-19(23)20-10-9-16-7-8-18-17(11-16)21-13-22(18)2/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide?
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 307.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 110791656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).