N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide

C18H27N3O — CID 7023923

IUPACN-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCCCn1c([C@H](C)NC(=O)CCC)nc2ccccc21
InChIInChI=1S/C18H27N3O/c1-4-6-9-13-21-16-12-8-7-11-15(16)20-18(21)14(3)19-17(22)10-5-2/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyRQFWZPXEUTYUFZ-AWEZNQCLSA-N
MW301.43 g/mol
LogP4.20
Rot. Bonds8

About N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide

N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide (PubChem CID 7023923) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
PubChem CID7023923
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCCCn1c([C@H](C)NC(=O)CCC)nc2ccccc21
InChIInChI=1S/C18H27N3O/c1-4-6-9-13-21-16-12-8-7-11-15(16)20-18(21)14(3)19-17(22)10-5-2/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyRQFWZPXEUTYUFZ-AWEZNQCLSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
CID 16970435
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968787
2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16972683
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971563
N-[1-(1-octylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16971565
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide
CID 16968848
N-[1-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968785
N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972671

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide?
The IUPAC name of N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide (CID 7023923) is N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide?
The canonical SMILES for N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide is CCCCCn1c([C@H](C)NC(=O)CCC)nc2ccccc21.
What is the InChIKey of N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide?
The InChIKey is RQFWZPXEUTYUFZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O/c1-4-6-9-13-21-16-12-8-7-11-15(16)20-18(21)14(3)19-17(22)10-5-2/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide?
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide has a molecular weight of 301.43 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 7023923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).