2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole

C17H13BrN4O — CID 135804605

IUPAC2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESBrc1cccc(COc2cc(-c3nc4ccccc4[nH]3)[nH]n2)c1
InChIInChI=1S/C17H13BrN4O/c18-12-5-3-4-11(8-12)10-23-16-9-15(21-22-16)17-19-13-6-1-2-7-14(13)20-17/h1-9H,10H2,(H,19,20)(H,21,22)
InChIKeyYIZCQEIZIVCLRA-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.29
Rot. Bonds4

About 2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole

2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 135804605) has the molecular formula C17H13BrN4O and a molecular weight of 369.22 g/mol. Its IUPAC name is 2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID135804605
Molecular FormulaC17H13BrN4O
Molecular Weight369.22 g/mol
Exact Mass368.03
IUPAC Name2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESBrc1cccc(COc2cc(-c3nc4ccccc4[nH]3)[nH]n2)c1
InChIInChI=1S/C17H13BrN4O/c18-12-5-3-4-11(8-12)10-23-16-9-15(21-22-16)17-19-13-6-1-2-7-14(13)20-17/h1-9H,10H2,(H,19,20)(H,21,22)
InChIKeyYIZCQEIZIVCLRA-UHFFFAOYSA-N
XLogP4.29
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 4-phenylbenzoate
CID 135750698
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(3-bromophenoxy)acetamide
CID 18283756
[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate
CID 135750695
2-(1H-benzimidazol-2-yl)-N-[(3-bromophenyl)methyl]ethanamine
CID 66526967
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 155161491
2-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168554437
2-[3-bromo-4-[(3-bromophenyl)methoxy]-5-ethoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224715
2-(6-bromonaphthalen-2-yl)-1H-benzimidazole
CID 115354152
2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole
CID 168554331
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole (CID 135804605) is 2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole is Brc1cccc(COc2cc(-c3nc4ccccc4[nH]3)[nH]n2)c1.
What is the InChIKey of 2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is YIZCQEIZIVCLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O/c18-12-5-3-4-11(8-12)10-23-16-9-15(21-22-16)17-19-13-6-1-2-7-14(13)20-17/h1-9H,10H2,(H,19,20)(H,21,22).
What are the key properties of 2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole?
2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 369.22 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-bromophenyl)methoxy]-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 135804605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).