2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide

C15H16BrN5O — CID 19549763

IUPAC2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nc2ccccc2n1C)n1cc(Br)cn1
InChIInChI=1S/C15H16BrN5O/c1-3-12(21-9-10(16)8-17-21)14(22)19-15-18-11-6-4-5-7-13(11)20(15)2/h4-9,12H,3H2,1-2H3,(H,18,19,22)
InChIKeyALDALWGMOGPUCN-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide

2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide (PubChem CID 19549763) has the molecular formula C15H16BrN5O and a molecular weight of 362.23 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide
PubChem CID19549763
Molecular FormulaC15H16BrN5O
Molecular Weight362.23 g/mol
Exact Mass361.05
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide
SMILESCCC(C(=O)Nc1nc2ccccc2n1C)n1cc(Br)cn1
InChIInChI=1S/C15H16BrN5O/c1-3-12(21-9-10(16)8-17-21)14(22)19-15-18-11-6-4-5-7-13(11)20(15)2/h4-9,12H,3H2,1-2H3,(H,18,19,22)
InChIKeyALDALWGMOGPUCN-UHFFFAOYSA-N
XLogP3.12
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide
CID 19549724
(2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 35528025
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 35528028
2-(4-bromopyrazol-1-yl)-N-(5-bromoquinolin-8-yl)butanamide
CID 19549718
2-(4-bromopyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 19551349
1-ethyl-5-methyl-N-(1-methylbenzimidazol-2-yl)pyrazole-4-carboxamide
CID 19280706
4-[2-(4-bromopyrazol-1-yl)butanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19551483
2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]butanamide
CID 19551431
3-[2-(4-bromopyrazol-1-yl)butanoylamino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19551383
2-(4-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butanamide
CID 19551446
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide
CID 19551441
2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19537559

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide (CID 19549763) is 2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide is CCC(C(=O)Nc1nc2ccccc2n1C)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide?
The InChIKey is ALDALWGMOGPUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O/c1-3-12(21-9-10(16)8-17-21)14(22)19-15-18-11-6-4-5-7-13(11)20(15)2/h4-9,12H,3H2,1-2H3,(H,18,19,22).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide?
2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide has a molecular weight of 362.23 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide is sourced from PubChem (CID 19549763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).