2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone

C20H22N4O2 — CID 167572746

IUPAC2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone
SMILESCOc1nc2cc(-c3cncnc3)ccc2n1C(=O)CC1CCCCC1
InChIInChI=1S/C20H22N4O2/c1-26-20-23-17-10-15(16-11-21-13-22-12-16)7-8-18(17)24(20)19(25)9-14-5-3-2-4-6-14/h7-8,10-14H,2-6,9H2,1H3
InChIKeyGCYJSBISMMRZJQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.11
Rot. Bonds4

About 2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone

2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone (PubChem CID 167572746) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone
PubChem CID167572746
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone
SMILESCOc1nc2cc(-c3cncnc3)ccc2n1C(=O)CC1CCCCC1
InChIInChI=1S/C20H22N4O2/c1-26-20-23-17-10-15(16-11-21-13-22-12-16)7-8-18(17)24(20)19(25)9-14-5-3-2-4-6-14/h7-8,10-14H,2-6,9H2,1H3
InChIKeyGCYJSBISMMRZJQ-UHFFFAOYSA-N
XLogP4.11
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone (CID 167572746) is 2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone is COc1nc2cc(-c3cncnc3)ccc2n1C(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone?
The InChIKey is GCYJSBISMMRZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-20-23-17-10-15(16-11-21-13-22-12-16)7-8-18(17)24(20)19(25)9-14-5-3-2-4-6-14/h7-8,10-14H,2-6,9H2,1H3.
What are the key properties of 2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone?
2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone has a molecular weight of 350.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methoxy-5-pyrimidin-5-ylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 167572746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).