2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole

C19H20N4 — CID 151827175

IUPAC2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole
SMILESCCC(c1nc2ccccc2[nH]1)c1nc2c(C)c(C)ccc2[nH]1
InChIInChI=1S/C19H20N4/c1-4-13(18-20-14-7-5-6-8-15(14)21-18)19-22-16-10-9-11(2)12(3)17(16)23-19/h5-10,13H,4H2,1-3H3,(H,20,21)(H,22,23)
InChIKeySDWIRHHUWGYZGP-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.60
Rot. Bonds3

About 2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole

2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole (PubChem CID 151827175) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole
PubChem CID151827175
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole
SMILESCCC(c1nc2ccccc2[nH]1)c1nc2c(C)c(C)ccc2[nH]1
InChIInChI=1S/C19H20N4/c1-4-13(18-20-14-7-5-6-8-15(14)21-18)19-22-16-10-9-11(2)12(3)17(16)23-19/h5-10,13H,4H2,1-3H3,(H,20,21)(H,22,23)
InChIKeySDWIRHHUWGYZGP-UHFFFAOYSA-N
XLogP4.60
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole
CID 151651960
2-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)pentan-3-yl]-4,5-dimethyl-1H-benzimidazole
CID 150245168
2-propan-2-yl-1H-benzimidazole
CID 22121
4-chloro-2-(1-phenylpropyl)-1H-benzimidazole
CID 64724538
3,4,9-trimethylacridine
CID 58813802
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
CID 139651881
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
ethane;2,4,5-trimethyl-1H-benzimidazole
CID 142026179
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole (CID 151827175) is 2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole is CCC(c1nc2ccccc2[nH]1)c1nc2c(C)c(C)ccc2[nH]1.
What is the InChIKey of 2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole?
The InChIKey is SDWIRHHUWGYZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-4-13(18-20-14-7-5-6-8-15(14)21-18)19-22-16-10-9-11(2)12(3)17(16)23-19/h5-10,13H,4H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole?
2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole has a molecular weight of 304.40 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole is sourced from PubChem (CID 151827175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).