N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide

C18H18N4O3 — CID 74240019

IUPACN-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(CCNC(=O)c1ccc2nc(CO)[nH]c2c1)Nc1ccccc1
InChIInChI=1S/C18H18N4O3/c23-11-16-21-14-7-6-12(10-15(14)22-16)18(25)19-9-8-17(24)20-13-4-2-1-3-5-13/h1-7,10,23H,8-9,11H2,(H,19,25)(H,20,24)(H,21,22)
InChIKeyBPCZKBOCTSGLAP-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.81
Rot. Bonds6

About N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide

N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 74240019) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
PubChem CID74240019
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(CCNC(=O)c1ccc2nc(CO)[nH]c2c1)Nc1ccccc1
InChIInChI=1S/C18H18N4O3/c23-11-16-21-14-7-6-12(10-15(14)22-16)18(25)19-9-8-17(24)20-13-4-2-1-3-5-13/h1-7,10,23H,8-9,11H2,(H,19,25)(H,20,24)(H,21,22)
InChIKeyBPCZKBOCTSGLAP-UHFFFAOYSA-N
XLogP1.81
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
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N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-6-pyrrol-1-ylhexanamide
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3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid
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CID 110765504
4-(4-benzamidobutanoylamino)benzamide
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CID 8884300
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Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide (CID 74240019) is N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide is O=C(CCNC(=O)c1ccc2nc(CO)[nH]c2c1)Nc1ccccc1.
What is the InChIKey of N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is BPCZKBOCTSGLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-11-16-21-14-7-6-12(10-15(14)22-16)18(25)19-9-8-17(24)20-13-4-2-1-3-5-13/h1-7,10,23H,8-9,11H2,(H,19,25)(H,20,24)(H,21,22).
What are the key properties of N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide?
N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-3-oxopropyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 74240019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).