2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole

C16H13BrN4 — CID 6934859

IUPAC2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESBrc1ccc(C2=NN[C@@H](c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C16H13BrN4/c17-11-7-5-10(6-8-11)14-9-15(21-20-14)16-18-12-3-1-2-4-13(12)19-16/h1-8,15,21H,9H2,(H,18,19)/t15-/m1/s1
InChIKeyFPJBFYTXJVMQQW-OAHLLOKOSA-N
MW341.21 g/mol
LogP3.76
Rot. Bonds2

About 2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole

2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 6934859) has the molecular formula C16H13BrN4 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID6934859
Molecular FormulaC16H13BrN4
Molecular Weight341.21 g/mol
Exact Mass340.03
IUPAC Name2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESBrc1ccc(C2=NN[C@@H](c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C16H13BrN4/c17-11-7-5-10(6-8-11)14-9-15(21-20-14)16-18-12-3-1-2-4-13(12)19-16/h1-8,15,21H,9H2,(H,18,19)/t15-/m1/s1
InChIKeyFPJBFYTXJVMQQW-OAHLLOKOSA-N
XLogP3.76
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-3-(4-phenylphenyl)-4,5-dihydro-1H-pyrazole
CID 23583457
3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 15628692
[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-(2-methylphenyl)methanone
CID 1108846
[3-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-3-oxopropyl]-diethylazanium
CID 6989750
(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one
CID 7080465
(2S)-2-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-2H-1,4-benzothiazine
CID 41117985
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
5-[5-(4-bromophenyl)furan-2-yl]-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 10668490
2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole
CID 15423365
2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole
CID 141390668
2-[(5S)-5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135674916
3-(4-bromophenyl)-5-(2-methyl-1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 17272196

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole (CID 6934859) is 2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole is Brc1ccc(C2=NN[C@@H](c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of 2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is FPJBFYTXJVMQQW-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13BrN4/c17-11-7-5-10(6-8-11)14-9-15(21-20-14)16-18-12-3-1-2-4-13(12)19-16/h1-8,15,21H,9H2,(H,18,19)/t15-/m1/s1.
What are the key properties of 2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole?
2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 341.21 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 6934859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).