2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole

C18H18N2O — CID 141096815

IUPAC2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole
SMILESCn1c(C2CC2)nc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C18H18N2O/c1-20-15-8-5-9-16(17(15)19-18(20)14-10-11-14)21-12-13-6-3-2-4-7-13/h2-9,14H,10-12H2,1H3
InChIKeyWXMSMZHDNWXVFB-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.03
Rot. Bonds4

About 2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole

2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole (PubChem CID 141096815) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole
PubChem CID141096815
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole
SMILESCn1c(C2CC2)nc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C18H18N2O/c1-20-15-8-5-9-16(17(15)19-18(20)14-10-11-14)21-12-13-6-3-2-4-7-13/h2-9,14H,10-12H2,1H3
InChIKeyWXMSMZHDNWXVFB-UHFFFAOYSA-N
XLogP4.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole?
The IUPAC name of 2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole (CID 141096815) is 2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole.
What is the SMILES notation for 2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole?
The canonical SMILES for 2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole is Cn1c(C2CC2)nc2c(OCc3ccccc3)cccc21.
What is the InChIKey of 2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole?
The InChIKey is WXMSMZHDNWXVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-20-15-8-5-9-16(17(15)19-18(20)14-10-11-14)21-12-13-6-3-2-4-7-13/h2-9,14H,10-12H2,1H3.
What are the key properties of 2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole?
2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole has a molecular weight of 278.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole is sourced from PubChem (CID 141096815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).