1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide

C19H20ClN3O3 — CID 4288193

IUPAC1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(Cl)ccc1OC
InChIInChI=1S/C19H20ClN3O3/c1-25-9-3-8-21-19(24)13-4-6-16-15(10-13)22-12-23(16)17-11-14(20)5-7-18(17)26-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,21,24)
InChIKeyDLMYNXZROAMTQK-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.45
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide

1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide (PubChem CID 4288193) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide
PubChem CID4288193
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(Cl)ccc1OC
InChIInChI=1S/C19H20ClN3O3/c1-25-9-3-8-21-19(24)13-4-6-16-15(10-13)22-12-23(16)17-11-14(20)5-7-18(17)26-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,21,24)
InChIKeyDLMYNXZROAMTQK-UHFFFAOYSA-N
XLogP3.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
CID 5012814
1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 3594822
N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide
CID 3293921
1-[3-[3-(4-fluorophenoxy)propoxy]phenyl]-N-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 11340536
1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate
CID 3519711
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723
N-butyl-1-[(4-chlorophenyl)methyl]benzimidazole-5-carboxamide
CID 71711224
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5235716
N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
CID 110692569
N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide
CID 4278606
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide (CID 4288193) is 1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide is COCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide?
The InChIKey is DLMYNXZROAMTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-25-9-3-8-21-19(24)13-4-6-16-15(10-13)22-12-23(16)17-11-14(20)5-7-18(17)26-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,21,24).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide?
1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 4288193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).