N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide

C19H21N3O2 — CID 7366372

IUPACN-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide
SMILESC[C@H](NC=O)c1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-15(20-14-23)19-21-17-10-5-6-11-18(17)22(19)12-7-13-24-16-8-3-2-4-9-16/h2-6,8-11,14-15H,7,12-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyVNGMDQHZIGZEOR-HNNXBMFYSA-N
MW323.40 g/mol
LogP3.31
Rot. Bonds8

About N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide

N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide (PubChem CID 7366372) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide
PubChem CID7366372
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide
SMILESC[C@H](NC=O)c1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C19H21N3O2/c1-15(20-14-23)19-21-17-10-5-6-11-18(17)22(19)12-7-13-24-16-8-3-2-4-9-16/h2-6,8-11,14-15H,7,12-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyVNGMDQHZIGZEOR-HNNXBMFYSA-N
XLogP3.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]formamide
CID 7366416
N-[1-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]formamide
CID 2987533
N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide
CID 7366573
N-[1-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971807
4-methyl-N-[1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967236
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968171
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100825
N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100824
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965467
(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 40699156
2,2-dimethyl-N-[1-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16969396

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide?
The IUPAC name of N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide (CID 7366372) is N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide.
What is the SMILES notation for N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide?
The canonical SMILES for N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide is C[C@H](NC=O)c1nc2ccccc2n1CCCOc1ccccc1.
What is the InChIKey of N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide?
The InChIKey is VNGMDQHZIGZEOR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15(20-14-23)19-21-17-10-5-6-11-18(17)22(19)12-7-13-24-16-8-3-2-4-9-16/h2-6,8-11,14-15H,7,12-13H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide?
N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide has a molecular weight of 323.40 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]formamide is sourced from PubChem (CID 7366372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).