6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide

C14H18FN3O2 — CID 111460992

IUPAC6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)C(O)CCNC(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C14H18FN3O2/c1-8(2)12(19)3-4-16-14(20)10-5-9(15)6-11-13(10)18-7-17-11/h5-8,12,19H,3-4H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyFGCOYVCVZSKMQD-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.84
Rot. Bonds5

About 6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide

6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide (PubChem CID 111460992) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
PubChem CID111460992
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)C(O)CCNC(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C14H18FN3O2/c1-8(2)12(19)3-4-16-14(20)10-5-9(15)6-11-13(10)18-7-17-11/h5-8,12,19H,3-4H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyFGCOYVCVZSKMQD-UHFFFAOYSA-N
XLogP1.84
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide (CID 111460992) is 6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide is CC(C)C(O)CCNC(=O)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of 6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is FGCOYVCVZSKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-8(2)12(19)3-4-16-14(20)10-5-9(15)6-11-13(10)18-7-17-11/h5-8,12,19H,3-4H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide?
6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 111460992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).