2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide

C18H18BrN3O — CID 40621397

IUPAC2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide
SMILESCCCn1c(NC(=O)Cc2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C18H18BrN3O/c1-2-11-22-16-6-4-3-5-15(16)20-18(22)21-17(23)12-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,21,23)
InChIKeyWXMRQGWWIKCAIP-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.39
Rot. Bonds5

About 2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide

2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide (PubChem CID 40621397) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide
PubChem CID40621397
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide
SMILESCCCn1c(NC(=O)Cc2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C18H18BrN3O/c1-2-11-22-16-6-4-3-5-15(16)20-18(22)21-17(23)12-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,21,23)
InChIKeyWXMRQGWWIKCAIP-UHFFFAOYSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide (CID 40621397) is 2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide is CCCn1c(NC(=O)Cc2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide?
The InChIKey is WXMRQGWWIKCAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-2-11-22-16-6-4-3-5-15(16)20-18(22)21-17(23)12-13-7-9-14(19)10-8-13/h3-10H,2,11-12H2,1H3,(H,20,21,23).
What are the key properties of 2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide?
2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide has a molecular weight of 372.27 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1-propylbenzimidazol-2-yl)acetamide is sourced from PubChem (CID 40621397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).