5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole

C16H22N2O — CID 139905735

IUPAC5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole
SMILESCOC(c1ccc2c(c1)ncn2C)C1CCCCC1
InChIInChI=1S/C16H22N2O/c1-18-11-17-14-10-13(8-9-15(14)18)16(19-2)12-6-4-3-5-7-12/h8-12,16H,3-7H2,1-2H3
InChIKeyDRBBHFOAQVUXSQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.84
Rot. Bonds3

About 5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole

5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole (PubChem CID 139905735) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole
PubChem CID139905735
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole
SMILESCOC(c1ccc2c(c1)ncn2C)C1CCCCC1
InChIInChI=1S/C16H22N2O/c1-18-11-17-14-10-13(8-9-15(14)18)16(19-2)12-6-4-3-5-7-12/h8-12,16H,3-7H2,1-2H3
InChIKeyDRBBHFOAQVUXSQ-UHFFFAOYSA-N
XLogP3.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
azetidin-3-yl-(1-methylbenzimidazol-5-yl)methanamine
CID 116935373
N-methyl-1-(1-methylbenzimidazol-5-yl)-1-piperidin-2-ylmethanamine
CID 116951200
2-[cyclopropyl(methyl)amino]-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 116857492
(1-methylbenzimidazol-5-yl) cyclohexanesulfonate
CID 90538373
N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide
CID 110760236
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate
CID 116910227
4-N-methyl-4-N-(1-methylbenzimidazol-5-yl)cyclohexane-1,4-diamine
CID 115149791
2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347
2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde
CID 116954228
N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116964360

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole?
The IUPAC name of 5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole (CID 139905735) is 5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole.
What is the SMILES notation for 5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole?
The canonical SMILES for 5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole is COC(c1ccc2c(c1)ncn2C)C1CCCCC1.
What is the InChIKey of 5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole?
The InChIKey is DRBBHFOAQVUXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18-11-17-14-10-13(8-9-15(14)18)16(19-2)12-6-4-3-5-7-12/h8-12,16H,3-7H2,1-2H3.
What are the key properties of 5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole?
5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole has a molecular weight of 258.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(methoxy)methyl]-1-methylbenzimidazole is sourced from PubChem (CID 139905735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).