2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole

C18H18N2O2 — CID 168553533

IUPAC2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1OCC1CC1
InChIInChI=1S/C18H18N2O2/c1-21-16-9-8-13(10-17(16)22-11-12-6-7-12)18-19-14-4-2-3-5-15(14)20-18/h2-5,8-10,12H,6-7,11H2,1H3,(H,19,20)
InChIKeyDSUVKSGUVUYRJS-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.03
Rot. Bonds5

About 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole

2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole (PubChem CID 168553533) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole
PubChem CID168553533
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1OCC1CC1
InChIInChI=1S/C18H18N2O2/c1-21-16-9-8-13(10-17(16)22-11-12-6-7-12)18-19-14-4-2-3-5-15(14)20-18/h2-5,8-10,12H,6-7,11H2,1H3,(H,19,20)
InChIKeyDSUVKSGUVUYRJS-UHFFFAOYSA-N
XLogP4.03
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-[4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168554818
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287
2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168555101
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 19224198
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole (CID 168553533) is 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole is COc1ccc(-c2nc3ccccc3[nH]2)cc1OCC1CC1.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole?
The InChIKey is DSUVKSGUVUYRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-21-16-9-8-13(10-17(16)22-11-12-6-7-12)18-19-14-4-2-3-5-15(14)20-18/h2-5,8-10,12H,6-7,11H2,1H3,(H,19,20).
What are the key properties of 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole?
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole has a molecular weight of 294.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole is sourced from PubChem (CID 168553533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).