N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride

C22H28ClN3O2 — CID 22696615

IUPACN-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride
SMILESCc1ccccc1OCCCCn1c(CCCNC=O)nc2ccccc21.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-18-9-2-5-12-21(18)27-16-7-6-15-25-20-11-4-3-10-19(20)24-22(25)13-8-14-23-17-26;/h2-5,9-12,17H,6-8,13-16H2,1H3,(H,23,26);1H
InChIKeyHAEFJORNLRYCOT-UHFFFAOYSA-N
MW401.94 g/mol
LogP4.30
Rot. Bonds11

About N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride

N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride (PubChem CID 22696615) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride
PubChem CID22696615
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride
SMILESCc1ccccc1OCCCCn1c(CCCNC=O)nc2ccccc21.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-18-9-2-5-12-21(18)27-16-7-6-15-25-20-11-4-3-10-19(20)24-22(25)13-8-14-23-17-26;/h2-5,9-12,17H,6-8,13-16H2,1H3,(H,23,26);1H
InChIKeyHAEFJORNLRYCOT-UHFFFAOYSA-N
XLogP4.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.30
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

4-methyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984323
2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16981324
4-methyl-N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991936
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
2-(4-methoxyphenyl)-N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985611
2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982579
N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988210
2-(4-chlorophenyl)-N-[5-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993909
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981657
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754686
N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981874
N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16980583

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride?
The IUPAC name of N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride (CID 22696615) is N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride.
What is the SMILES notation for N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride?
The canonical SMILES for N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride is Cc1ccccc1OCCCCn1c(CCCNC=O)nc2ccccc21.Cl.
What is the InChIKey of N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride?
The InChIKey is HAEFJORNLRYCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-18-9-2-5-12-21(18)27-16-7-6-15-25-20-11-4-3-10-19(20)24-22(25)13-8-14-23-17-26;/h2-5,9-12,17H,6-8,13-16H2,1H3,(H,23,26);1H.
What are the key properties of N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride?
N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;hydrochloride is sourced from PubChem (CID 22696615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).