N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide

C18H17Cl2N3O2 — CID 60509750

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H17Cl2N3O2/c1-10(17-22-15-5-3-4-6-16(15)23-17)21-18(24)11(2)25-12-7-8-13(19)14(20)9-12/h3-11H,1-2H3,(H,21,24)(H,22,23)
InChIKeyDNGHPKXJCNSOEE-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.51
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide (PubChem CID 60509750) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
PubChem CID60509750
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H17Cl2N3O2/c1-10(17-22-15-5-3-4-6-16(15)23-17)21-18(24)11(2)25-12-7-8-13(19)14(20)9-12/h3-11H,1-2H3,(H,21,24)(H,22,23)
InChIKeyDNGHPKXJCNSOEE-UHFFFAOYSA-N
XLogP4.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 60509545
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-chlorobenzamide
CID 78806072
(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(4-chlorophenoxy)propanamide
CID 2492250
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 43889769
(2S)-2-(3,4-dichlorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 8580031
propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
CID 62668799
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
CID 60509453
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 60620348
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide (CID 60509750) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide?
The InChIKey is DNGHPKXJCNSOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-10(17-22-15-5-3-4-6-16(15)23-17)21-18(24)11(2)25-12-7-8-13(19)14(20)9-12/h3-11H,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide has a molecular weight of 378.26 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 60509750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).