4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide

C17H22FN3O — CID 141326357

IUPAC4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(n2cnc3ccc(F)cc32)CC1
InChIInChI=1S/C17H22FN3O/c1-11(2)20-17(22)12-3-6-14(7-4-12)21-10-19-15-8-5-13(18)9-16(15)21/h5,8-12,14H,3-4,6-7H2,1-2H3,(H,20,22)
InChIKeyOAVGMJSQNMVSIJ-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.43
Rot. Bonds3

About 4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide

4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 141326357) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID141326357
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(n2cnc3ccc(F)cc32)CC1
InChIInChI=1S/C17H22FN3O/c1-11(2)20-17(22)12-3-6-14(7-4-12)21-10-19-15-8-5-13(18)9-16(15)21/h5,8-12,14H,3-4,6-7H2,1-2H3,(H,20,22)
InChIKeyOAVGMJSQNMVSIJ-UHFFFAOYSA-N
XLogP3.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide (CID 141326357) is 4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)C1CCC(n2cnc3ccc(F)cc32)CC1.
What is the InChIKey of 4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is OAVGMJSQNMVSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-11(2)20-17(22)12-3-6-14(7-4-12)21-10-19-15-8-5-13(18)9-16(15)21/h5,8-12,14H,3-4,6-7H2,1-2H3,(H,20,22).
What are the key properties of 4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide?
4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 141326357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).