(2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol

C15H17BrN4O — CID 97243193

IUPAC(2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
SMILESCc1cc2ncn(C[C@@H](O)Cn3cc(Br)cn3)c2cc1C
InChIInChI=1S/C15H17BrN4O/c1-10-3-14-15(4-11(10)2)19(9-17-14)7-13(21)8-20-6-12(16)5-18-20/h3-6,9,13,21H,7-8H2,1-2H3/t13-/m1/s1
InChIKeyNVMRZSJYHAQZGI-CYBMUJFWSA-N
MW349.23 g/mol
LogP2.67
Rot. Bonds4

About (2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol

(2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol (PubChem CID 97243193) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is (2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
PubChem CID97243193
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name(2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
SMILESCc1cc2ncn(C[C@@H](O)Cn3cc(Br)cn3)c2cc1C
InChIInChI=1S/C15H17BrN4O/c1-10-3-14-15(4-11(10)2)19(9-17-14)7-13(21)8-20-6-12(16)5-18-20/h3-6,9,13,21H,7-8H2,1-2H3/t13-/m1/s1
InChIKeyNVMRZSJYHAQZGI-CYBMUJFWSA-N
XLogP2.67
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 75389459
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 97243184
1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 110897311
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(3-nitropyrazol-1-yl)propan-2-ol
CID 99816161
ethyl 4-(5,6-dimethylbenzimidazol-1-yl)-3-hydroxybutanoate
CID 82775981
1-(5,6-dimethylbenzimidazol-1-yl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 110932874
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 766433
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol
CID 97243145
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol
CID 124588614
1-(4-bromopyrazol-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 109411726
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 742001
1-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 110921650

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol (CID 97243193) is (2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol is Cc1cc2ncn(C[C@@H](O)Cn3cc(Br)cn3)c2cc1C.
What is the InChIKey of (2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is NVMRZSJYHAQZGI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-10-3-14-15(4-11(10)2)19(9-17-14)7-13(21)8-20-6-12(16)5-18-20/h3-6,9,13,21H,7-8H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
(2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 349.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 97243193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).