N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide

C19H21N3O2 — CID 110711950

IUPACN-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
SMILESCn1c(CCNC(=O)CCOc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H21N3O2/c1-22-17-10-6-5-9-16(17)21-18(22)11-13-20-19(23)12-14-24-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeyNSTWULMGTOEHEX-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.70
Rot. Bonds7

About N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide (PubChem CID 110711950) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
PubChem CID110711950
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
SMILESCn1c(CCNC(=O)CCOc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H21N3O2/c1-22-17-10-6-5-9-16(17)21-18(22)11-13-20-19(23)12-14-24-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeyNSTWULMGTOEHEX-UHFFFAOYSA-N
XLogP2.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974426
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511
N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 110712288
3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 110711966
2-methyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980411
2,2-dimethyl-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]propanamide
CID 3160758
N-[2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974448
N-[2-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978316
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 40716506

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide (CID 110711950) is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide is Cn1c(CCNC(=O)CCOc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide?
The InChIKey is NSTWULMGTOEHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22-17-10-6-5-9-16(17)21-18(22)11-13-20-19(23)12-14-24-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,23).
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide?
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide has a molecular weight of 323.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110711950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).