(2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide

C15H16BrN5O — CID 35528025

IUPAC(2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
SMILESC[C@@H](Cn1cc(Br)cn1)C(=O)Nc1nc2ccccc2n1C
InChIInChI=1S/C15H16BrN5O/c1-10(8-21-9-11(16)7-17-21)14(22)19-15-18-12-5-3-4-6-13(12)20(15)2/h3-7,9-10H,8H2,1-2H3,(H,18,19,22)/t10-/m0/s1
InChIKeyOHKRJBHYGNPFTL-JTQLQIEISA-N
MW362.23 g/mol
LogP2.81
Rot. Bonds4

About (2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide

(2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide (PubChem CID 35528025) has the molecular formula C15H16BrN5O and a molecular weight of 362.23 g/mol. Its IUPAC name is (2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
PubChem CID35528025
Molecular FormulaC15H16BrN5O
Molecular Weight362.23 g/mol
Exact Mass361.05
IUPAC Name(2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
SMILESC[C@@H](Cn1cc(Br)cn1)C(=O)Nc1nc2ccccc2n1C
InChIInChI=1S/C15H16BrN5O/c1-10(8-21-9-11(16)7-17-21)14(22)19-15-18-12-5-3-4-6-13(12)20(15)2/h3-7,9-10H,8H2,1-2H3,(H,18,19,22)/t10-/m0/s1
InChIKeyOHKRJBHYGNPFTL-JTQLQIEISA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 35528028
2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide
CID 19549763
3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 19566261
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 40648018
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19568517
(2R)-3-(4-bromopyrazol-1-yl)-N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 35529843
(2R)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 51391219
3-(4-bromopyrazol-1-yl)-N-butan-2-yl-2-methylpropanamide
CID 19564677
3-(4-bromopyrazol-1-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4865431
(2R)-2-methyl-N-(1-methylbenzimidazol-2-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 35528656
3-(4-bromopyrazol-1-yl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19564654
2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide
CID 19549724

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide?
The IUPAC name of (2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide (CID 35528025) is (2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for (2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide?
The canonical SMILES for (2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide is C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1nc2ccccc2n1C.
What is the InChIKey of (2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide?
The InChIKey is OHKRJBHYGNPFTL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16BrN5O/c1-10(8-21-9-11(16)7-17-21)14(22)19-15-18-12-5-3-4-6-13(12)20(15)2/h3-7,9-10H,8H2,1-2H3,(H,18,19,22)/t10-/m0/s1.
What are the key properties of (2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide?
(2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide has a molecular weight of 362.23 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-bromopyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 35528025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).