1-[(4-methylphenyl)methyl]-2-propylbenzimidazole

C18H20N2 — CID 884778

IUPAC1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1ccc(C)cc1
InChIInChI=1S/C18H20N2/c1-3-6-18-19-16-7-4-5-8-17(16)20(18)13-15-11-9-14(2)10-12-15/h4-5,7-12H,3,6,13H2,1-2H3
InChIKeyDLUZEMNXFJZNAV-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.35
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-2-propylbenzimidazole

1-[(4-methylphenyl)methyl]-2-propylbenzimidazole (PubChem CID 884778) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-2-propylbenzimidazole.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
PubChem CID884778
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
SMILESCCCc1nc2ccccc2n1Cc1ccc(C)cc1
InChIInChI=1S/C18H20N2/c1-3-6-18-19-16-7-4-5-8-17(16)20(18)13-15-11-9-14(2)10-12-15/h4-5,7-12H,3,6,13H2,1-2H3
InChIKeyDLUZEMNXFJZNAV-UHFFFAOYSA-N
XLogP4.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-propylbenzimidazole
CID 764560
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
CID 115571780
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 4754944
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
1-[(4-methylphenyl)methyl]-2-[(3,3,4,4-tetradeuteriopyrrolidin-1-yl)methyl]benzimidazole
CID 87065826
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]formamide
CID 2986832
2-ethyl-N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 16980992
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-2-propylbenzimidazole?
The IUPAC name of 1-[(4-methylphenyl)methyl]-2-propylbenzimidazole (CID 884778) is 1-[(4-methylphenyl)methyl]-2-propylbenzimidazole.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-2-propylbenzimidazole?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-2-propylbenzimidazole is CCCc1nc2ccccc2n1Cc1ccc(C)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-2-propylbenzimidazole?
The InChIKey is DLUZEMNXFJZNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-3-6-18-19-16-7-4-5-8-17(16)20(18)13-15-11-9-14(2)10-12-15/h4-5,7-12H,3,6,13H2,1-2H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-2-propylbenzimidazole?
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole has a molecular weight of 264.37 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-2-propylbenzimidazole is sourced from PubChem (CID 884778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).