2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide

C20H27BrN6O — CID 19549724

IUPAC2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide
SMILESCCC(C(=O)Nc1nc2ccccc2n1CCN(CC)CC)n1cc(Br)cn1
InChIInChI=1S/C20H27BrN6O/c1-4-17(27-14-15(21)13-22-27)19(28)24-20-23-16-9-7-8-10-18(16)26(20)12-11-25(5-2)6-3/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,23,24,28)
InChIKeyVDIJJLHXINJYDE-UHFFFAOYSA-N
MW447.38 g/mol
LogP3.93
Rot. Bonds9

About 2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide

2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide (PubChem CID 19549724) has the molecular formula C20H27BrN6O and a molecular weight of 447.38 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide
PubChem CID19549724
Molecular FormulaC20H27BrN6O
Molecular Weight447.38 g/mol
Exact Mass446.14
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide
SMILESCCC(C(=O)Nc1nc2ccccc2n1CCN(CC)CC)n1cc(Br)cn1
InChIInChI=1S/C20H27BrN6O/c1-4-17(27-14-15(21)13-22-27)19(28)24-20-23-16-9-7-8-10-18(16)26(20)12-11-25(5-2)6-3/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,23,24,28)
InChIKeyVDIJJLHXINJYDE-UHFFFAOYSA-N
XLogP3.93
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)butanamide
CID 19549763
2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502887
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 56556521
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19533015
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280672
2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482801
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 19520547
(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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide (CID 19549724) is 2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide is CCC(C(=O)Nc1nc2ccccc2n1CCN(CC)CC)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide?
The InChIKey is VDIJJLHXINJYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN6O/c1-4-17(27-14-15(21)13-22-27)19(28)24-20-23-16-9-7-8-10-18(16)26(20)12-11-25(5-2)6-3/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,23,24,28).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide?
2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide has a molecular weight of 447.38 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]butanamide is sourced from PubChem (CID 19549724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).