2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide

C16H18BrN3O — CID 113081535

IUPAC2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1Br)NCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C16H18BrN3O/c17-12-6-2-1-5-11(12)9-16(21)18-10-15-19-13-7-3-4-8-14(13)20-15/h1-2,5-6H,3-4,7-10H2,(H,18,21)(H,19,20)
InChIKeyXFACBHIVCQUEAF-UHFFFAOYSA-N
MW348.24 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide

2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide (PubChem CID 113081535) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide
PubChem CID113081535
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1Br)NCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C16H18BrN3O/c17-12-6-2-1-5-11(12)9-16(21)18-10-15-19-13-7-3-4-8-14(13)20-15/h1-2,5-6H,3-4,7-10H2,(H,18,21)(H,19,20)
InChIKeyXFACBHIVCQUEAF-UHFFFAOYSA-N
XLogP2.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
CID 113081462
1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea
CID 113081528
3-(3,4-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)propanamide
CID 113081519
3,4-dimethoxy-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)benzamide
CID 113081493
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1H-benzo[f]chromene-2-carboxamide
CID 166362314
5-methyl-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 146104021
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-4-(trifluoromethyl)thiophene-3-carboxamide
CID 146104746
N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide
CID 63563469
2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112990865
2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445871
N-[(2-bromophenyl)methyl]-2-hydroxyacetamide
CID 115139901
2-(2-bromophenyl)-N-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]acetamide
CID 23027406

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide (CID 113081535) is 2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide is O=C(Cc1ccccc1Br)NCc1nc2c([nH]1)CCCC2.
What is the InChIKey of 2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide?
The InChIKey is XFACBHIVCQUEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c17-12-6-2-1-5-11(12)9-16(21)18-10-15-19-13-7-3-4-8-14(13)20-15/h1-2,5-6H,3-4,7-10H2,(H,18,21)(H,19,20).
What are the key properties of 2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide?
2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide has a molecular weight of 348.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)acetamide is sourced from PubChem (CID 113081535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).