N-(1H-benzimidazol-2-yl)-3-methylhexanamide

C14H19N3O — CID 75418801

IUPACN-(1H-benzimidazol-2-yl)-3-methylhexanamide
SMILESCCCC(C)CC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-3-6-10(2)9-13(18)17-14-15-11-7-4-5-8-12(11)16-14/h4-5,7-8,10H,3,6,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyADMWAMQEJYHWPJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.33
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-3-methylhexanamide

N-(1H-benzimidazol-2-yl)-3-methylhexanamide (PubChem CID 75418801) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-methylhexanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-methylhexanamide
PubChem CID75418801
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-(1H-benzimidazol-2-yl)-3-methylhexanamide
SMILESCCCC(C)CC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-3-6-10(2)9-13(18)17-14-15-11-7-4-5-8-12(11)16-14/h4-5,7-8,10H,3,6,9H2,1-2H3,(H2,15,16,17,18)
InChIKeyADMWAMQEJYHWPJ-UHFFFAOYSA-N
XLogP3.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-methylpentanamide
CID 60629405
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-(1H-benzimidazol-2-yl)-4-chloro-3-hydroxybutanamide
CID 15946590
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841
N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 63562593
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565252
(2S,3S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565253
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 60565943
hexadecyl N-(1H-benzimidazol-2-yl)carbamate
CID 140968781

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-methylhexanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-methylhexanamide (CID 75418801) is N-(1H-benzimidazol-2-yl)-3-methylhexanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-methylhexanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-methylhexanamide is CCCC(C)CC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-methylhexanamide?
The InChIKey is ADMWAMQEJYHWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-6-10(2)9-13(18)17-14-15-11-7-4-5-8-12(11)16-14/h4-5,7-8,10H,3,6,9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-methylhexanamide?
N-(1H-benzimidazol-2-yl)-3-methylhexanamide has a molecular weight of 245.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-methylhexanamide is sourced from PubChem (CID 75418801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).