N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide

C17H14Cl3N3O2 — CID 112821054

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C17H14Cl3N3O2/c18-9-8-10(19)16(24)14(15(9)20)17(25)21-7-3-6-13-22-11-4-1-2-5-12(11)23-13/h1-2,4-5,8,24H,3,6-7H2,(H,21,25)(H,22,23)
InChIKeyCPJPLPLQCBVBKC-UHFFFAOYSA-N
MW398.68 g/mol
LogP4.59
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide

N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide (PubChem CID 112821054) has the molecular formula C17H14Cl3N3O2 and a molecular weight of 398.68 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide
PubChem CID112821054
Molecular FormulaC17H14Cl3N3O2
Molecular Weight398.68 g/mol
Exact Mass397.02
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide
SMILESO=C(NCCCc1nc2ccccc2[nH]1)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C17H14Cl3N3O2/c18-9-8-10(19)16(24)14(15(9)20)17(25)21-7-3-6-13-22-11-4-1-2-5-12(11)23-13/h1-2,4-5,8,24H,3,6-7H2,(H,21,25)(H,22,23)
InChIKeyCPJPLPLQCBVBKC-UHFFFAOYSA-N
XLogP4.59
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluoro-1H-indole-2-carboxamide
CID 36806947
1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119838245
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(3,4-dichlorophenyl)methyl]-1-methylurea
CID 30306692
trans-(1R,2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylcyclopropane-1-carboxamide
CID 29303561
N-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 71827608
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea
CID 24612809
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide
CID 41478889

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide (CID 112821054) is N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide is O=C(NCCCc1nc2ccccc2[nH]1)c1c(O)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide?
The InChIKey is CPJPLPLQCBVBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3N3O2/c18-9-8-10(19)16(24)14(15(9)20)17(25)21-7-3-6-13-22-11-4-1-2-5-12(11)23-13/h1-2,4-5,8,24H,3,6-7H2,(H,21,25)(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide has a molecular weight of 398.68 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide is sourced from PubChem (CID 112821054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).