2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole

C19H20N2 — CID 18878588

IUPAC2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole
SMILESCc1ccc(C)c(Cn2c(C3CC3)nc3ccccc32)c1
InChIInChI=1S/C19H20N2/c1-13-7-8-14(2)16(11-13)12-21-18-6-4-3-5-17(18)20-19(21)15-9-10-15/h3-8,11,15H,9-10,12H2,1-2H3
InChIKeyKXOMXTUPPOOPLE-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.58
Rot. Bonds3

About 2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole

2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole (PubChem CID 18878588) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole
PubChem CID18878588
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole
SMILESCc1ccc(C)c(Cn2c(C3CC3)nc3ccccc32)c1
InChIInChI=1S/C19H20N2/c1-13-7-8-14(2)16(11-13)12-21-18-6-4-3-5-17(18)20-19(21)15-9-10-15/h3-8,11,15H,9-10,12H2,1-2H3
InChIKeyKXOMXTUPPOOPLE-UHFFFAOYSA-N
XLogP4.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 25345248
4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 3698723
1-cyclohexyl-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005293
1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
CID 962442
(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011768
(4R)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 7011052
1-[(2,5-dimethylphenyl)methyl]-2-phenylsulfanylbenzimidazole
CID 90026832
1-(5-chloro-2-methoxyphenyl)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 118984936
2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 17001968
2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 16995673
(4S)-1-(4-methylphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7011305
9-[(2,5-dimethylphenyl)methyl]carbazole
CID 174908792

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole?
The IUPAC name of 2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole (CID 18878588) is 2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole is Cc1ccc(C)c(Cn2c(C3CC3)nc3ccccc32)c1.
What is the InChIKey of 2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole?
The InChIKey is KXOMXTUPPOOPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13-7-8-14(2)16(11-13)12-21-18-6-4-3-5-17(18)20-19(21)15-9-10-15/h3-8,11,15H,9-10,12H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole?
2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole has a molecular weight of 276.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 18878588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).