2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide

C30H29N3O2 — CID 16975966

IUPAC2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCc1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C30H29N3O2/c1-22-10-2-4-13-24(22)30(34)31-19-18-29-32-26-15-6-7-16-27(26)33(29)20-9-21-35-28-17-8-12-23-11-3-5-14-25(23)28/h2-8,10-17H,9,18-21H2,1H3,(H,31,34)
InChIKeyMFJDNBPBSAKWIK-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.94
Rot. Bonds9

About 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide

2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16975966) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16975966
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC Name2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCc1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C30H29N3O2/c1-22-10-2-4-13-24(22)30(34)31-19-18-29-32-26-15-6-7-16-27(26)33(29)20-9-21-35-28-17-8-12-23-11-3-5-14-25(23)28/h2-8,10-17H,9,18-21H2,1H3,(H,31,34)
InChIKeyMFJDNBPBSAKWIK-UHFFFAOYSA-N
XLogP5.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976257
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980463
N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975960
3,4-dimethoxy-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976917
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980301
2-chloro-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982739
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975236
2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974766
2-methoxy-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976230
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966412
3,4,5-trimethoxy-N-[2-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977045
N-[3-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide (CID 16975966) is 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide is Cc1ccccc1C(=O)NCCc1nc2ccccc2n1CCCOc1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is MFJDNBPBSAKWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2/c1-22-10-2-4-13-24(22)30(34)31-19-18-29-32-26-15-6-7-16-27(26)33(29)20-9-21-35-28-17-8-12-23-11-3-5-14-25(23)28/h2-8,10-17H,9,18-21H2,1H3,(H,31,34).
What are the key properties of 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide?
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 463.58 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16975966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).