2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide

C28H24ClN3O2 — CID 16967689

IUPAC2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)c1nc2ccccc2n1CCOc1cccc2ccccc12
InChIInChI=1S/C28H24ClN3O2/c1-19(30-28(33)22-12-4-5-13-23(22)29)27-31-24-14-6-7-15-25(24)32(27)17-18-34-26-16-8-10-20-9-2-3-11-21(20)26/h2-16,19H,17-18H2,1H3,(H,30,33)
InChIKeyCDLFCWRVQSGVAD-UHFFFAOYSA-N
MW469.97 g/mol
LogP6.41
Rot. Bonds7

About 2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide

2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16967689) has the molecular formula C28H24ClN3O2 and a molecular weight of 469.97 g/mol. Its IUPAC name is 2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16967689
Molecular FormulaC28H24ClN3O2
Molecular Weight469.97 g/mol
Exact Mass469.16
IUPAC Name2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)c1nc2ccccc2n1CCOc1cccc2ccccc12
InChIInChI=1S/C28H24ClN3O2/c1-19(30-28(33)22-12-4-5-13-23(22)29)27-31-24-14-6-7-15-25(24)32(27)17-18-34-26-16-8-10-20-9-2-3-11-21(20)26/h2-16,19H,17-18H2,1H3,(H,30,33)
InChIKeyCDLFCWRVQSGVAD-UHFFFAOYSA-N
XLogP6.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.97
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16968622
2-chloro-N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967691
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965437
2-chloro-N-[1-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967682
2-chloro-N-[1-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967678
N-[1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967403
2-methoxy-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969225
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970012
2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970174
3-chloro-N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010465
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971779
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide (CID 16967689) is 2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide is CC(NC(=O)c1ccccc1Cl)c1nc2ccccc2n1CCOc1cccc2ccccc12.
What is the InChIKey of 2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is CDLFCWRVQSGVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O2/c1-19(30-28(33)22-12-4-5-13-23(22)29)27-31-24-14-6-7-15-25(24)32(27)17-18-34-26-16-8-10-20-9-2-3-11-21(20)26/h2-16,19H,17-18H2,1H3,(H,30,33).
What are the key properties of 2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide?
2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 469.97 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16967689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).