3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide

C16H14BrN3O — CID 18811132

IUPAC3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O/c17-11-5-7-12(8-6-11)18-16(21)10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyVPMPDYYVBZOYBW-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.90
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide

3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide (PubChem CID 18811132) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
PubChem CID18811132
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O/c17-11-5-7-12(8-6-11)18-16(21)10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyVPMPDYYVBZOYBW-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 46567336
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(4-bromophenyl)acetamide
CID 8713802
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide
CID 31409989
N-[4-(4-bromophenoxy)phenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135893495
3-(1H-benzimidazol-2-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 44773909
3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 37162962
3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 35955632
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552
3-(1H-benzimidazol-2-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135647103
3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 18145579
3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 32519791

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide (CID 18811132) is 3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide is O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(Br)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide?
The InChIKey is VPMPDYYVBZOYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-11-5-7-12(8-6-11)18-16(21)10-9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide has a molecular weight of 344.21 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide is sourced from PubChem (CID 18811132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).