6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid

C14H19N3O3 — CID 21273383

IUPAC6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
SMILESO=C(O)NCCCCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C14H19N3O3/c18-13-16-11-7-3-4-8-12(11)17(13)10-6-2-1-5-9-15-14(19)20/h3-4,7-8,15H,1-2,5-6,9-10H2,(H,16,18)(H,19,20)
InChIKeySQODFITXPIYHMU-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.16
Rot. Bonds7

About 6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid

6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid (PubChem CID 21273383) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid.

Molecular Properties

Compound Name6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
PubChem CID21273383
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
SMILESO=C(O)NCCCCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C14H19N3O3/c18-13-16-11-7-3-4-8-12(11)17(13)10-6-2-1-5-9-15-14(19)20/h3-4,7-8,15H,1-2,5-6,9-10H2,(H,16,18)(H,19,20)
InChIKeySQODFITXPIYHMU-UHFFFAOYSA-N
XLogP2.16
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 70523740
CID 70523740
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate
CID 110400773
2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide
CID 110419711
4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419732
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
4-(2-methylphenyl)-4-oxo-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
CID 110611000
4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
CID 110420411
3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
CID 110610959
N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 110603181
6-(3-butyl-2-oxobenzimidazol-1-yl)hexylcarbamic acid
CID 21273516
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid?
The IUPAC name of 6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid (CID 21273383) is 6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid.
What is the SMILES notation for 6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid?
The canonical SMILES for 6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid is O=C(O)NCCCCCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid?
The InChIKey is SQODFITXPIYHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13-16-11-7-3-4-8-12(11)17(13)10-6-2-1-5-9-15-14(19)20/h3-4,7-8,15H,1-2,5-6,9-10H2,(H,16,18)(H,19,20).
What are the key properties of 6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid?
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid has a molecular weight of 277.32 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid is sourced from PubChem (CID 21273383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).