1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole

C22H26N4O — CID 11302951

IUPAC1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
SMILESCCCn1c(COCc2nc3ccccc3n2CCC)nc2ccccc21
InChIInChI=1S/C22H26N4O/c1-3-13-25-19-11-7-5-9-17(19)23-21(25)15-27-16-22-24-18-10-6-8-12-20(18)26(22)14-4-2/h5-12H,3-4,13-16H2,1-2H3
InChIKeySQCBOFGMGLGXKJ-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.92
Rot. Bonds8

About 1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole

1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole (PubChem CID 11302951) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole.

Molecular Properties

Compound Name1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
PubChem CID11302951
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
SMILESCCCn1c(COCc2nc3ccccc3n2CCC)nc2ccccc21
InChIInChI=1S/C22H26N4O/c1-3-13-25-19-11-7-5-9-17(19)23-21(25)15-27-16-22-24-18-10-6-8-12-20(18)26(22)14-4-2/h5-12H,3-4,13-16H2,1-2H3
InChIKeySQCBOFGMGLGXKJ-UHFFFAOYSA-N
XLogP4.92
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
CID 79753961
1-dodecyl-2-(methoxymethyl)benzimidazole
CID 16996870
1-(2-aminoethoxy)-3-(1-propylbenzimidazol-2-yl)propan-2-one
CID 116591103
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754393
2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79352406
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 170866848
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole
CID 18334686
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole?
The IUPAC name of 1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole (CID 11302951) is 1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole.
What is the SMILES notation for 1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole?
The canonical SMILES for 1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole is CCCn1c(COCc2nc3ccccc3n2CCC)nc2ccccc21.
What is the InChIKey of 1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole?
The InChIKey is SQCBOFGMGLGXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-13-25-19-11-7-5-9-17(19)23-21(25)15-27-16-22-24-18-10-6-8-12-20(18)26(22)14-4-2/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of 1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole?
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole has a molecular weight of 362.48 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole is sourced from PubChem (CID 11302951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).