2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole

C17H22N2O — CID 138664980

IUPAC2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole
SMILESc1cc2nc(CC3CCCCC3)[nH]c2cc1OC1CC1
InChIInChI=1S/C17H22N2O/c1-2-4-12(5-3-1)10-17-18-15-9-8-14(11-16(15)19-17)20-13-6-7-13/h8-9,11-13H,1-7,10H2,(H,18,19)
InChIKeyADWPVUQVJVZVNZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.23
Rot. Bonds4

About 2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole

2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole (PubChem CID 138664980) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole
PubChem CID138664980
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole
SMILESc1cc2nc(CC3CCCCC3)[nH]c2cc1OC1CC1
InChIInChI=1S/C17H22N2O/c1-2-4-12(5-3-1)10-17-18-15-9-8-14(11-16(15)19-17)20-13-6-7-13/h8-9,11-13H,1-7,10H2,(H,18,19)
InChIKeyADWPVUQVJVZVNZ-UHFFFAOYSA-N
XLogP4.23
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole
CID 64723934
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535
3-(5-cyclopentylpentyl)-7-cyclopropyloxy-1H-quinoxalin-2-one
CID 123992272
5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole
CID 82005203
1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone
CID 76849353
2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole
CID 60977974
6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
CID 64724517
2-[3,5-dibromo-4-[[2-(cyclopentylmethyl)-3H-benzimidazol-5-yl]oxy]phenoxy]acetic acid
CID 24867222
2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine
CID 3373556
5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole
CID 114458309
2-[1-(cyclohexylmethyl)-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]acetic acid
CID 163058422

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole?
The IUPAC name of 2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole (CID 138664980) is 2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole.
What is the SMILES notation for 2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole?
The canonical SMILES for 2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole is c1cc2nc(CC3CCCCC3)[nH]c2cc1OC1CC1.
What is the InChIKey of 2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole?
The InChIKey is ADWPVUQVJVZVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-4-12(5-3-1)10-17-18-15-9-8-14(11-16(15)19-17)20-13-6-7-13/h8-9,11-13H,1-7,10H2,(H,18,19).
What are the key properties of 2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole?
2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole has a molecular weight of 270.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole is sourced from PubChem (CID 138664980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).