2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide

C17H23N3O — CID 142169464

IUPAC2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide
SMILESC=CCc1nc2ccc(NC(=O)C(C)CCCC)cc2[nH]1
InChIInChI=1S/C17H23N3O/c1-4-6-8-12(3)17(21)18-13-9-10-14-15(11-13)20-16(19-14)7-5-2/h5,9-12H,2,4,6-8H2,1,3H3,(H,18,21)(H,19,20)
InChIKeyDNPOSZZVUFHRBU-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.06
Rot. Bonds7

About 2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide

2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide (PubChem CID 142169464) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide.

Molecular Properties

Compound Name2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide
PubChem CID142169464
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide
SMILESC=CCc1nc2ccc(NC(=O)C(C)CCCC)cc2[nH]1
InChIInChI=1S/C17H23N3O/c1-4-6-8-12(3)17(21)18-13-9-10-14-15(11-13)20-16(19-14)7-5-2/h5,9-12H,2,4,6-8H2,1,3H3,(H,18,21)(H,19,20)
InChIKeyDNPOSZZVUFHRBU-UHFFFAOYSA-N
XLogP4.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride
CID 120503091
2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79195442
2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride
CID 119854415
2-methyl-N-pyridin-4-yldodecanamide
CID 175060967
N-[2-(3-hydroxybutyl)-3H-benzimidazol-5-yl]formamide
CID 168652422
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide
CID 84581968
methyl 3-(2-methylhexanoylamino)benzoate
CID 114246785
4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide
CID 119854404
3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 120503219
(2S)-2-amino-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79024217
N-(2-butyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide
CID 119854376

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide?
The IUPAC name of 2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide (CID 142169464) is 2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide.
What is the SMILES notation for 2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide?
The canonical SMILES for 2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide is C=CCc1nc2ccc(NC(=O)C(C)CCCC)cc2[nH]1.
What is the InChIKey of 2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide?
The InChIKey is DNPOSZZVUFHRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-6-8-12(3)17(21)18-13-9-10-14-15(11-13)20-16(19-14)7-5-2/h5,9-12H,2,4,6-8H2,1,3H3,(H,18,21)(H,19,20).
What are the key properties of 2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide?
2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide has a molecular weight of 285.39 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-prop-2-enyl-3H-benzimidazol-5-yl)hexanamide is sourced from PubChem (CID 142169464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).