N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide

C17H19N4O3+ — CID 7421194

IUPACN-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(C[NH+]3CCOCC3)[nH]c2c1)c1ccco1
InChIInChI=1S/C17H18N4O3/c22-17(15-2-1-7-24-15)18-12-3-4-13-14(10-12)20-16(19-13)11-21-5-8-23-9-6-21/h1-4,7,10H,5-6,8-9,11H2,(H,18,22)(H,19,20)/p+1
InChIKeyUSHBYDQNVIZBIJ-UHFFFAOYSA-O
MW327.36 g/mol
LogP0.82
Rot. Bonds4

About N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide

N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide (PubChem CID 7421194) has the molecular formula C17H19N4O3+ and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
PubChem CID7421194
Molecular FormulaC17H19N4O3+
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC NameN-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(C[NH+]3CCOCC3)[nH]c2c1)c1ccco1
InChIInChI=1S/C17H18N4O3/c22-17(15-2-1-7-24-15)18-12-3-4-13-14(10-12)20-16(19-13)11-21-5-8-23-9-6-21/h1-4,7,10H,5-6,8-9,11H2,(H,18,22)(H,19,20)/p+1
InChIKeyUSHBYDQNVIZBIJ-UHFFFAOYSA-O
XLogP0.82
TPSA84.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
N-[2-(1H-imidazol-2-yl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 171509852
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396
N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-4-bromofuran-2-carboxamide
CID 166370793
N-(2,3-dimethylquinoxalin-6-yl)furan-2-carboxamide
CID 3734340
N-[3-[[2-(1H-benzimidazol-2-yl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 35669369
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
2-chloro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47838444
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 1300314
4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328956
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967

Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide (CID 7421194) is N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2nc(C[NH+]3CCOCC3)[nH]c2c1)c1ccco1.
What is the InChIKey of N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
The InChIKey is USHBYDQNVIZBIJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18N4O3/c22-17(15-2-1-7-24-15)18-12-3-4-13-14(10-12)20-16(19-13)11-21-5-8-23-9-6-21/h1-4,7,10H,5-6,8-9,11H2,(H,18,22)(H,19,20)/p+1.
What are the key properties of N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide?
N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholin-4-ium-4-ylmethyl)-3H-benzimidazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 7421194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).