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

C32H35N3O2 — CID 19243037

IUPACN-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1CCOc1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C32H35N3O2/c36-31(32-19-22-16-23(20-32)18-24(17-22)21-32)33-13-12-30-34-27-9-3-4-10-28(27)35(30)14-15-37-29-11-5-7-25-6-1-2-8-26(25)29/h1-11,22-24H,12-21H2,(H,33,36)
InChIKeyCTJCCQYWFQOAGH-UHFFFAOYSA-N
MW493.65 g/mol
LogP6.14
Rot. Bonds8

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

N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide (PubChem CID 19243037) has the molecular formula C32H35N3O2 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
PubChem CID19243037
Molecular FormulaC32H35N3O2
Molecular Weight493.65 g/mol
Exact Mass493.27
IUPAC NameN-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1CCOc1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C32H35N3O2/c36-31(32-19-22-16-23(20-32)18-24(17-22)21-32)33-13-12-30-34-27-9-3-4-10-28(27)35(30)14-15-37-29-11-5-7-25-6-1-2-8-26(25)29/h1-11,22-24H,12-21H2,(H,33,36)
InChIKeyCTJCCQYWFQOAGH-UHFFFAOYSA-N
XLogP6.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
CID 19243139
N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
CID 19243127
2,2-dimethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 6490606
2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974766
N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
CID 19243140
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
CID 19243130
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975236
N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989180
2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethanol
CID 19242359
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980301
2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide
CID 16981462
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980463

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide (CID 19243037) is N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide is O=C(NCCc1nc2ccccc2n1CCOc1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide?
The InChIKey is CTJCCQYWFQOAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O2/c36-31(32-19-22-16-23(20-32)18-24(17-22)21-32)33-13-12-30-34-27-9-3-4-10-28(27)35(30)14-15-37-29-11-5-7-25-6-1-2-8-26(25)29/h1-11,22-24H,12-21H2,(H,33,36).
What are the key properties of N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide?
N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide has a molecular weight of 493.65 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 19243037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).