6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole

C18H15N5O — CID 135794286

IUPAC6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1ccc2nc(-c3[nH]ncc3/C=C/c3cccnc3)[nH]c2c1
InChIInChI=1S/C18H15N5O/c1-24-14-6-7-15-16(9-14)22-18(21-15)17-13(11-20-23-17)5-4-12-3-2-8-19-10-12/h2-11H,1H3,(H,20,23)(H,21,22)/b5-4+
InChIKeyWENOTWRMBOBLIZ-SNAWJCMRSA-N
MW317.35 g/mol
LogP3.53
Rot. Bonds4

About 6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole

6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 135794286) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID135794286
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1ccc2nc(-c3[nH]ncc3/C=C/c3cccnc3)[nH]c2c1
InChIInChI=1S/C18H15N5O/c1-24-14-6-7-15-16(9-14)22-18(21-15)17-13(11-20-23-17)5-4-12-3-2-8-19-10-12/h2-11H,1H3,(H,20,23)(H,21,22)/b5-4+
InChIKeyWENOTWRMBOBLIZ-SNAWJCMRSA-N
XLogP3.53
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Raf265
CID 11656518
Pyrazolopyridazine 1
CID 6539361
N-(3,4-Dimethoxyphenyl)-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 68291131
3-[5-(5-Ethoxy-6-Fluoro-1h-Benzimidazol-2-Yl)-1h-Pyrazol-4-Yl]-1,1-Diethylurea
CID 135566617
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
6-methoxy-2-pyridin-2-yl-1H-benzimidazole
CID 186762
6-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538766
6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
7-(1H-indol-2-yl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 135545443
Sdccggsk-0000197.P001
CID 9604911
1-(3-methoxyphenyl)-3-propyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604967
1-(3-methoxyphenyl)-3-propan-2-yl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604968

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole (CID 135794286) is 6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole is COc1ccc2nc(-c3[nH]ncc3/C=C/c3cccnc3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is WENOTWRMBOBLIZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H15N5O/c1-24-14-6-7-15-16(9-14)22-18(21-15)17-13(11-20-23-17)5-4-12-3-2-8-19-10-12/h2-11H,1H3,(H,20,23)(H,21,22)/b5-4+.
What are the key properties of 6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 317.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 135794286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).