1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole

C16H29FN2 — CID 163141978

IUPAC1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
SMILESCC1N(C)C2CCCCC2N1CC1CCC(F)CC1
InChIInChI=1S/C16H29FN2/c1-12-18(2)15-5-3-4-6-16(15)19(12)11-13-7-9-14(17)10-8-13/h12-16H,3-11H2,1-2H3
InChIKeySKPDGXPCUPOQDO-UHFFFAOYSA-N
MW268.42 g/mol
LogP3.42
Rot. Bonds2

About 1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole

1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole (PubChem CID 163141978) has the molecular formula C16H29FN2 and a molecular weight of 268.42 g/mol. Its IUPAC name is 1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole.

Molecular Properties

Compound Name1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
PubChem CID163141978
Molecular FormulaC16H29FN2
Molecular Weight268.42 g/mol
Exact Mass268.23
IUPAC Name1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
SMILESCC1N(C)C2CCCCC2N1CC1CCC(F)CC1
InChIInChI=1S/C16H29FN2/c1-12-18(2)15-5-3-4-6-16(15)19(12)11-13-7-9-14(17)10-8-13/h12-16H,3-11H2,1-2H3
InChIKeySKPDGXPCUPOQDO-UHFFFAOYSA-N
XLogP3.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole?
The IUPAC name of 1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole (CID 163141978) is 1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole.
What is the SMILES notation for 1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole?
The canonical SMILES for 1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole is CC1N(C)C2CCCCC2N1CC1CCC(F)CC1.
What is the InChIKey of 1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole?
The InChIKey is SKPDGXPCUPOQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2/c1-12-18(2)15-5-3-4-6-16(15)19(12)11-13-7-9-14(17)10-8-13/h12-16H,3-11H2,1-2H3.
What are the key properties of 1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole?
1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole has a molecular weight of 268.42 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorocyclohexyl)methyl]-2,3-dimethyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole is sourced from PubChem (CID 163141978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).