N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide

C23H37N3O — CID 16968572

IUPACN-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
SMILESCCCCCCCCCCCn1c(C(C)NC(=O)CC)nc2ccccc21
InChIInChI=1S/C23H37N3O/c1-4-6-7-8-9-10-11-12-15-18-26-21-17-14-13-16-20(21)25-23(26)19(3)24-22(27)5-2/h13-14,16-17,19H,4-12,15,18H2,1-3H3,(H,24,27)
InChIKeyHKIKVFLVWTWIMK-UHFFFAOYSA-N
MW371.57 g/mol
LogP6.15
Rot. Bonds13

About N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide

N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide (PubChem CID 16968572) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
PubChem CID16968572
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC NameN-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
SMILESCCCCCCCCCCCn1c(C(C)NC(=O)CC)nc2ccccc21
InChIInChI=1S/C23H37N3O/c1-4-6-7-8-9-10-11-12-15-18-26-21-17-14-13-16-20(21)25-23(26)19(3)24-22(27)5-2/h13-14,16-17,19H,4-12,15,18H2,1-3H3,(H,24,27)
InChIKeyHKIKVFLVWTWIMK-UHFFFAOYSA-N
XLogP6.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 56.15
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-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
CID 16970435
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16969632
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-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16967636
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375
N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965377

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide (CID 16968572) is N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide is CCCCCCCCCCCn1c(C(C)NC(=O)CC)nc2ccccc21.
What is the InChIKey of N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide?
The InChIKey is HKIKVFLVWTWIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-4-6-7-8-9-10-11-12-15-18-26-21-17-14-13-16-20(21)25-23(26)19(3)24-22(27)5-2/h13-14,16-17,19H,4-12,15,18H2,1-3H3,(H,24,27).
What are the key properties of N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide?
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide has a molecular weight of 371.57 g/mol, XLogP of 6.15, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 16968572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).