N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide

C16H14BrN3O — CID 110785506

IUPACN-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H14BrN3O/c17-13-4-1-11(2-5-13)8-16(21)18-9-12-3-6-14-15(7-12)20-10-19-14/h1-7,10H,8-9H2,(H,18,21)(H,19,20)
InChIKeyDTQRIOZFWIATLK-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.18
Rot. Bonds4

About N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide

N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide (PubChem CID 110785506) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
PubChem CID110785506
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H14BrN3O/c17-13-4-1-11(2-5-13)8-16(21)18-9-12-3-6-14-15(7-12)20-10-19-14/h1-7,10H,8-9H2,(H,18,21)(H,19,20)
InChIKeyDTQRIOZFWIATLK-UHFFFAOYSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
CID 110794693
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
CID 115156392
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
CID 115157341
methyl 2-(3H-benzimidazol-5-ylmethylamino)-2-oxoacetate
CID 115142411
1-(3H-benzimidazol-5-ylmethyl)-3-tert-butylurea
CID 110775445
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide
CID 115271345
N-(3H-benzimidazol-5-ylmethyl)-2,3,4-trifluorobenzamide
CID 110785475
N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide
CID 110785509

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide (CID 110785506) is N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide is O=C(Cc1ccc(Br)cc1)NCc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide?
The InChIKey is DTQRIOZFWIATLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-13-4-1-11(2-5-13)8-16(21)18-9-12-3-6-14-15(7-12)20-10-19-14/h1-7,10H,8-9H2,(H,18,21)(H,19,20).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide?
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide has a molecular weight of 344.21 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 110785506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).