N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide

C18H17Cl2N3O — CID 4886388

IUPACN-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide
SMILESO=CNCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O/c19-14-8-7-13(15(20)10-14)11-23-17-5-2-1-4-16(17)22-18(23)6-3-9-21-12-24/h1-2,4-5,7-8,10,12H,3,6,9,11H2,(H,21,24)
InChIKeyKXQWCYUIOWMBSA-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.07
Rot. Bonds7

About N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide

N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide (PubChem CID 4886388) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide.

Molecular Properties

Compound NameN-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide
PubChem CID4886388
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC NameN-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide
SMILESO=CNCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H17Cl2N3O/c19-14-8-7-13(15(20)10-14)11-23-17-5-2-1-4-16(17)22-18(23)6-3-9-21-12-24/h1-2,4-5,7-8,10,12H,3,6,9,11H2,(H,21,24)
InChIKeyKXQWCYUIOWMBSA-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984581
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2992540
(E)-N-[5-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992701
N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985537
N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980393
N-[5-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990919
4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378
N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 1293138
N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975589
2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole
CID 3789114
4-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]morpholine
CID 6494343
N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973752

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide?
The IUPAC name of N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide (CID 4886388) is N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide.
What is the SMILES notation for N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide?
The canonical SMILES for N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide is O=CNCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide?
The InChIKey is KXQWCYUIOWMBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c19-14-8-7-13(15(20)10-14)11-23-17-5-2-1-4-16(17)22-18(23)6-3-9-21-12-24/h1-2,4-5,7-8,10,12H,3,6,9,11H2,(H,21,24).
What are the key properties of N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide?
N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide has a molecular weight of 362.26 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]formamide is sourced from PubChem (CID 4886388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).