1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole

C21H18N6 — CID 53382924

IUPAC1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole
SMILESCCC(c1nc2ccccc2[nH]1)n1c(-c2cnccn2)nc2ccccc21
InChIInChI=1S/C21H18N6/c1-2-18(20-24-14-7-3-4-8-15(14)25-20)27-19-10-6-5-9-16(19)26-21(27)17-13-22-11-12-23-17/h3-13,18H,2H2,1H3,(H,24,25)
InChIKeyDTNLNZVHHPUDCV-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.37
Rot. Bonds4

About 1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole

1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole (PubChem CID 53382924) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole
PubChem CID53382924
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole
SMILESCCC(c1nc2ccccc2[nH]1)n1c(-c2cnccn2)nc2ccccc21
InChIInChI=1S/C21H18N6/c1-2-18(20-24-14-7-3-4-8-15(14)25-20)27-19-10-6-5-9-16(19)26-21(27)17-13-22-11-12-23-17/h3-13,18H,2H2,1H3,(H,24,25)
InChIKeyDTNLNZVHHPUDCV-UHFFFAOYSA-N
XLogP4.37
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzimidazol-2-yl]quinoline
CID 53382920
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
4-[1-(1H-benzimidazol-2-yl)propyl]morpholine
CID 82336424
2-[1-(1H-benzimidazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline
CID 82336406
(1-propan-2-yl-2-pyrazin-2-ylbenzimidazol-5-yl)methanamine
CID 65037653
1-(2-piperidin-1-ylethyl)-2-pyrazin-2-ylbenzimidazole
CID 134126828
2-propan-2-yl-1H-benzimidazole
CID 22121
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 62674077
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole
CID 175519385
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole (CID 53382924) is 1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole is CCC(c1nc2ccccc2[nH]1)n1c(-c2cnccn2)nc2ccccc21.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole?
The InChIKey is DTNLNZVHHPUDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c1-2-18(20-24-14-7-3-4-8-15(14)25-20)27-19-10-6-5-9-16(19)26-21(27)17-13-22-11-12-23-17/h3-13,18H,2H2,1H3,(H,24,25).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole?
1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole has a molecular weight of 354.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)propyl]-2-pyrazin-2-ylbenzimidazole is sourced from PubChem (CID 53382924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).