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

C19H21N3O2 — CID 7366573

IUPACN-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide
SMILESCc1cccc(OCCn2c([C@H](C)NC=O)nc3ccccc32)c1
InChIInChI=1S/C19H21N3O2/c1-14-6-5-7-16(12-14)24-11-10-22-18-9-4-3-8-17(18)21-19(22)15(2)20-13-23/h3-9,12-13,15H,10-11H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeySTFJGKPFLAHPID-HNNXBMFYSA-N
MW323.40 g/mol
LogP3.23
Rot. Bonds7

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

N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide (PubChem CID 7366573) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide
PubChem CID7366573
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide
SMILESCc1cccc(OCCn2c([C@H](C)NC=O)nc3ccccc32)c1
InChIInChI=1S/C19H21N3O2/c1-14-6-5-7-16(12-14)24-11-10-22-18-9-4-3-8-17(18)21-19(22)15(2)20-13-23/h3-9,12-13,15H,10-11H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeySTFJGKPFLAHPID-HNNXBMFYSA-N
XLogP3.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide?
The IUPAC name of N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide (CID 7366573) is N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide.
What is the SMILES notation for N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide?
The canonical SMILES for N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide is Cc1cccc(OCCn2c([C@H](C)NC=O)nc3ccccc32)c1.
What is the InChIKey of N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide?
The InChIKey is STFJGKPFLAHPID-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-6-5-7-16(12-14)24-11-10-22-18-9-4-3-8-17(18)21-19(22)15(2)20-13-23/h3-9,12-13,15H,10-11H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide?
N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide has a molecular weight of 323.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]formamide is sourced from PubChem (CID 7366573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).