N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide

C21H18N4O3 — CID 25373410

IUPACN-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H18N4O3/c26-19(11-12-22-21(27)18-6-3-13-28-18)23-15-9-7-14(8-10-15)20-24-16-4-1-2-5-17(16)25-20/h1-10,13H,11-12H2,(H,22,27)(H,23,26)(H,24,25)
InChIKeyMAVCEFWFGCRRHO-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.58
Rot. Bonds6

About N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide

N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 25373410) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide
PubChem CID25373410
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H18N4O3/c26-19(11-12-22-21(27)18-6-3-13-28-18)23-15-9-7-14(8-10-15)20-24-16-4-1-2-5-17(16)25-20/h1-10,13H,11-12H2,(H,22,27)(H,23,26)(H,24,25)
InChIKeyMAVCEFWFGCRRHO-UHFFFAOYSA-N
XLogP3.58
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate
CID 3680939
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
methyl 5-[4-(1H-benzimidazol-2-yl)anilino]-5-oxopentanoate
CID 118717470
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
4-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 100577407
N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 46693911
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43008896
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2091179
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 40704455
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 46339370

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide (CID 25373410) is N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is MAVCEFWFGCRRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-19(11-12-22-21(27)18-6-3-13-28-18)23-15-9-7-14(8-10-15)20-24-16-4-1-2-5-17(16)25-20/h1-10,13H,11-12H2,(H,22,27)(H,23,26)(H,24,25).
What are the key properties of N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 25373410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).