N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide

C29H47N3O — CID 16969632

IUPACN-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESCCCCCCCCCCCCCCCCn1c(C(C)NC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C29H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-32-27-20-17-16-19-26(27)31-28(32)24(2)30-29(33)25-21-22-25/h16-17,19-20,24-25H,3-15,18,21-23H2,1-2H3,(H,30,33)
InChIKeyJBFALTYGCPQJGY-UHFFFAOYSA-N
MW453.72 g/mol
LogP8.10
Rot. Bonds18

About N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide

N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide (PubChem CID 16969632) has the molecular formula C29H47N3O and a molecular weight of 453.72 g/mol. Its IUPAC name is N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
PubChem CID16969632
Molecular FormulaC29H47N3O
Molecular Weight453.72 g/mol
Exact Mass453.37
IUPAC NameN-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESCCCCCCCCCCCCCCCCn1c(C(C)NC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C29H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-32-27-20-17-16-19-26(27)31-28(32)24(2)30-29(33)25-21-22-25/h16-17,19-20,24-25H,3-15,18,21-23H2,1-2H3,(H,30,33)
InChIKeyJBFALTYGCPQJGY-UHFFFAOYSA-N
XLogP8.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.72
LogP ≤ 58.10
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-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16973329
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[1-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969701
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969660
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16967636
N-[(1-dodecylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969793
N-[1-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969723
N-[1-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969673
N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965377
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide (CID 16969632) is N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide is CCCCCCCCCCCCCCCCn1c(C(C)NC(=O)C2CC2)nc2ccccc21.
What is the InChIKey of N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is JBFALTYGCPQJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-32-27-20-17-16-19-26(27)31-28(32)24(2)30-29(33)25-21-22-25/h16-17,19-20,24-25H,3-15,18,21-23H2,1-2H3,(H,30,33).
What are the key properties of N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide?
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 453.72 g/mol, XLogP of 8.10, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 16969632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).