N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide

C27H24N4O2 — CID 16965437

IUPACN-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1nc2ccccc2n1CCOc1cccc2ccccc12
InChIInChI=1S/C27H24N4O2/c1-19(29-27(32)21-13-15-28-16-14-21)26-30-23-10-4-5-11-24(23)31(26)17-18-33-25-12-6-8-20-7-2-3-9-22(20)25/h2-16,19H,17-18H2,1H3,(H,29,32)
InChIKeyQKAJVBGCICJEPT-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.15
Rot. Bonds7

About N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide

N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide (PubChem CID 16965437) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
PubChem CID16965437
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1nc2ccccc2n1CCOc1cccc2ccccc12
InChIInChI=1S/C27H24N4O2/c1-19(29-27(32)21-13-15-28-16-14-21)26-30-23-10-4-5-11-24(23)31(26)17-18-33-25-12-6-8-20-7-2-3-9-22(20)25/h2-16,19H,17-18H2,1H3,(H,29,32)
InChIKeyQKAJVBGCICJEPT-UHFFFAOYSA-N
XLogP5.15
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967403
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16968622
2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967689
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970012
2-methoxy-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969225
2-methyl-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970174
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965467
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971779
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965365
N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963799
N-[1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965428
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967222

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide (CID 16965437) is N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccncc1)c1nc2ccccc2n1CCOc1cccc2ccccc12.
What is the InChIKey of N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is QKAJVBGCICJEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-19(29-27(32)21-13-15-28-16-14-21)26-30-23-10-4-5-11-24(23)31(26)17-18-33-25-12-6-8-20-7-2-3-9-22(20)25/h2-16,19H,17-18H2,1H3,(H,29,32).
What are the key properties of N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).