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

C15H17BrN4O — CID 75389459

IUPAC1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
SMILESCc1cc2ncn(CC(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
InChIKeyNVMRZSJYHAQZGI-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.67
Rot. Bonds4

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

1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol (PubChem CID 75389459) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
PubChem CID75389459
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
SMILESCc1cc2ncn(CC(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
InChIKeyNVMRZSJYHAQZGI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol (CID 75389459) is 1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol is Cc1cc2ncn(CC(O)Cn3cc(Br)cn3)c2cc1C.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is NVMRZSJYHAQZGI-UHFFFAOYSA-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.
What are the key properties of 1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol?
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 1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 75389459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).