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

C29H27N3O3 — CID 26025289

IUPACN-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1C[C@H](O)COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C29H27N3O3/c33-23(20-35-27-16-8-12-21-9-4-5-13-24(21)27)19-32-26-15-7-6-14-25(26)31-28(32)17-18-30-29(34)22-10-2-1-3-11-22/h1-16,23,33H,17-20H2,(H,30,34)/t23-/m0/s1
InChIKeyXOAOHYBTHPYEJH-QHCPKHFHSA-N
MW465.55 g/mol
LogP4.60
Rot. Bonds9

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

N-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 26025289) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID26025289
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC NameN-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1C[C@H](O)COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C29H27N3O3/c33-23(20-35-27-16-8-12-21-9-4-5-13-24(21)27)19-32-26-15-7-6-14-25(26)31-28(32)17-18-30-29(34)22-10-2-1-3-11-22/h1-16,23,33H,17-20H2,(H,30,34)/t23-/m0/s1
InChIKeyXOAOHYBTHPYEJH-QHCPKHFHSA-N
XLogP4.60
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide
CID 26025328
N-[2-[1-[2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 85452280
2-ethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974766
3,4-dimethoxy-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976917
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982222
2-methyl-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16975966
4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976708
2,2-dimethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 6490606
N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975236
4-methoxy-N-[5-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991286
N-[2-[1-(3-amino-3-oxopropyl)benzimidazol-2-yl]ethyl]benzamide
CID 51532359
N-[2-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 110932441

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide (CID 26025289) is N-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide is O=C(NCCc1nc2ccccc2n1C[C@H](O)COc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is XOAOHYBTHPYEJH-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H27N3O3/c33-23(20-35-27-16-8-12-21-9-4-5-13-24(21)27)19-32-26-15-7-6-14-25(26)31-28(32)17-18-30-29(34)22-10-2-1-3-11-22/h1-16,23,33H,17-20H2,(H,30,34)/t23-/m0/s1.
What are the key properties of N-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 465.55 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 26025289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).