2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide

C32H46ClN3O — CID 16967636

IUPAC2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCCCCCCCCCn1c(C(C)NC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C32H46ClN3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-36-30-24-19-18-23-29(30)35-31(36)26(2)34-32(37)27-21-16-17-22-28(27)33/h16-19,21-24,26H,3-15,20,25H2,1-2H3,(H,34,37)
InChIKeyQIKLDVDQGQBBKG-UHFFFAOYSA-N
MW524.19 g/mol
LogP9.66
Rot. Bonds18

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

2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 16967636) has the molecular formula C32H46ClN3O and a molecular weight of 524.19 g/mol. Its IUPAC name is 2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID16967636
Molecular FormulaC32H46ClN3O
Molecular Weight524.19 g/mol
Exact Mass523.33
IUPAC Name2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCCCCCCCCCn1c(C(C)NC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C32H46ClN3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-36-30-24-19-18-23-29(30)35-31(36)26(2)34-32(37)27-21-16-17-22-28(27)33/h16-19,21-24,26H,3-15,20,25H2,1-2H3,(H,34,37)
InChIKeyQIKLDVDQGQBBKG-UHFFFAOYSA-N
XLogP9.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.19
LogP ≤ 59.66
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-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16967951
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 16967790
2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967691
2-chloro-N-[1-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967705
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375
N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965377
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16969632
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
N-[(1S)-1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 7082664

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide (CID 16967636) is 2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide is CCCCCCCCCCCCCCCCn1c(C(C)NC(=O)c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is QIKLDVDQGQBBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46ClN3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-36-30-24-19-18-23-29(30)35-31(36)26(2)34-32(37)27-21-16-17-22-28(27)33/h16-19,21-24,26H,3-15,20,25H2,1-2H3,(H,34,37).
What are the key properties of 2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide?
2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 524.19 g/mol, XLogP of 9.66, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 16967636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).