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

C21H24N4 — CID 102471082

IUPAC1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
SMILESCCCn1c(Cc2nc3ccccc3n2CCC)nc2ccccc21
InChIInChI=1S/C21H24N4/c1-3-13-24-18-11-7-5-9-16(18)22-20(24)15-21-23-17-10-6-8-12-19(17)25(21)14-4-2/h5-12H,3-4,13-15H2,1-2H3
InChIKeyMPJUYWQVZIQNLY-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.80
Rot. Bonds6

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

1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole (PubChem CID 102471082) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
PubChem CID102471082
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
SMILESCCCn1c(Cc2nc3ccccc3n2CCC)nc2ccccc21
InChIInChI=1S/C21H24N4/c1-3-13-24-18-11-7-5-9-16(18)22-20(24)15-21-23-17-10-6-8-12-19(17)25(21)14-4-2/h5-12H,3-4,13-15H2,1-2H3
InChIKeyMPJUYWQVZIQNLY-UHFFFAOYSA-N
XLogP4.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79755294
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
CID 79753961
2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole
CID 79754826
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine
CID 79755479
[5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine
CID 79753969
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
N-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]aniline
CID 106505787
2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole
CID 102824508
2-[(4-bromopyrimidin-5-yl)methyl]-1-propylbenzimidazole
CID 105371351
N-methyl-2-[(1-propylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 102824874

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole?
The IUPAC name of 1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole (CID 102471082) is 1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole.
What is the SMILES notation for 1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole?
The canonical SMILES for 1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole is CCCn1c(Cc2nc3ccccc3n2CCC)nc2ccccc21.
What is the InChIKey of 1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole?
The InChIKey is MPJUYWQVZIQNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-3-13-24-18-11-7-5-9-16(18)22-20(24)15-21-23-17-10-6-8-12-19(17)25(21)14-4-2/h5-12H,3-4,13-15H2,1-2H3.
What are the key properties of 1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole?
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole has a molecular weight of 332.45 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole is sourced from PubChem (CID 102471082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).