N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide

C24H27BrN4O2 — CID 17009443

IUPACN-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1nc2ccccc2n1CC(=O)N1CCCCCC1
InChIInChI=1S/C24H27BrN4O2/c1-17(26-24(31)18-10-12-19(25)13-11-18)23-27-20-8-4-5-9-21(20)29(23)16-22(30)28-14-6-2-3-7-15-28/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H,26,31)
InChIKeyIKRDVRWSCYFAQG-UHFFFAOYSA-N
MW483.41 g/mol
LogP4.69
Rot. Bonds5

About N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide

N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide (PubChem CID 17009443) has the molecular formula C24H27BrN4O2 and a molecular weight of 483.41 g/mol. Its IUPAC name is N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide
PubChem CID17009443
Molecular FormulaC24H27BrN4O2
Molecular Weight483.41 g/mol
Exact Mass482.13
IUPAC NameN-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1nc2ccccc2n1CC(=O)N1CCCCCC1
InChIInChI=1S/C24H27BrN4O2/c1-17(26-24(31)18-10-12-19(25)13-11-18)23-27-20-8-4-5-9-21(20)29(23)16-22(30)28-14-6-2-3-7-15-28/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H,26,31)
InChIKeyIKRDVRWSCYFAQG-UHFFFAOYSA-N
XLogP4.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444
4-bromo-N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009305
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009912
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17009306
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009330
4-bromo-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009430
N-[(1S)-1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41184002
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963892
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968227

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide?
The IUPAC name of N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide (CID 17009443) is N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide.
What is the SMILES notation for N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide?
The canonical SMILES for N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide is CC(NC(=O)c1ccc(Br)cc1)c1nc2ccccc2n1CC(=O)N1CCCCCC1.
What is the InChIKey of N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide?
The InChIKey is IKRDVRWSCYFAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN4O2/c1-17(26-24(31)18-10-12-19(25)13-11-18)23-27-20-8-4-5-9-21(20)29(23)16-22(30)28-14-6-2-3-7-15-28/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H,26,31).
What are the key properties of N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide?
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide has a molecular weight of 483.41 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-bromobenzamide is sourced from PubChem (CID 17009443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).