N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide

C18H19N3O2 — CID 18105005

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O2/c1-23-16-9-5-2-6-13(16)10-11-18(22)19-12-17-20-14-7-3-4-8-15(14)21-17/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyPOAOOTONOWTDRJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.82
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide

N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide (PubChem CID 18105005) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
PubChem CID18105005
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O2/c1-23-16-9-5-2-6-13(16)10-11-18(22)19-12-17-20-14-7-3-4-8-15(14)21-17/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyPOAOOTONOWTDRJ-UHFFFAOYSA-N
XLogP2.82
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 37218639
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 24612830
N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
CID 18105142
ethyl 4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutanoate
CID 78910859
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30358132
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutyl]disulfanyl]butanamide
CID 118554955
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110416240
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide (CID 18105005) is N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is POAOOTONOWTDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-16-9-5-2-6-13(16)10-11-18(22)19-12-17-20-14-7-3-4-8-15(14)21-17/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide?
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 18105005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).