N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide

C18H18N4O3 — CID 17409968

IUPACN-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H18N4O3/c1-25-15-9-5-2-6-12(15)17(24)19-11-10-16(23)22-18-20-13-7-3-4-8-14(13)21-18/h2-9H,10-11H2,1H3,(H,19,24)(H2,20,21,22,23)
InChIKeyUHYAIXNPINAQOV-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.33
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide

N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide (PubChem CID 17409968) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
PubChem CID17409968
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H18N4O3/c1-25-15-9-5-2-6-12(15)17(24)19-11-10-16(23)22-18-20-13-7-3-4-8-14(13)21-18/h2-9H,10-11H2,1H3,(H,19,24)(H2,20,21,22,23)
InChIKeyUHYAIXNPINAQOV-UHFFFAOYSA-N
XLogP2.33
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-1H-benzimidazol-2-yl-2-hydroxy-
CID 583995
N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide
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2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
CID 1511
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
N-(1H-benzimidazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
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N-(1H-benzimidazol-2-yl)-2-methoxybenzamide
CID 854418
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 16279719
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801
(E)-N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-(2,5-dimethoxy-phenyl)-acrylamide
CID 1181186
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
(2Z)-2-[[4-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 138857416

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide (CID 17409968) is N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is UHYAIXNPINAQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-25-15-9-5-2-6-12(15)17(24)19-11-10-16(23)22-18-20-13-7-3-4-8-14(13)21-18/h2-9H,10-11H2,1H3,(H,19,24)(H2,20,21,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide?
N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 338.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 17409968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).