4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

C22H26N4O4 — CID 21101143

IUPAC4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2c(O)cccc2[nH]1
InChIInChI=1S/C22H26N4O4/c1-29-19-14-15(22(28)23-8-3-9-26-10-12-30-13-11-26)6-7-16(19)21-24-17-4-2-5-18(27)20(17)25-21/h2,4-7,14,27H,3,8-13H2,1H3,(H,23,28)(H,24,25)
InChIKeyOMJQWSMCKAAIHE-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.40
Rot. Bonds7

About 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide

4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 21101143) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID21101143
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2c(O)cccc2[nH]1
InChIInChI=1S/C22H26N4O4/c1-29-19-14-15(22(28)23-8-3-9-26-10-12-30-13-11-26)6-7-16(19)21-24-17-4-2-5-18(27)20(17)25-21/h2,4-7,14,27H,3,8-13H2,1H3,(H,23,28)(H,24,25)
InChIKeyOMJQWSMCKAAIHE-UHFFFAOYSA-N
XLogP2.40
TPSA99.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tegoprazan
CID 23582846
3-[[6-(2,6-Dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
CID 137552744
3-(4-(2-amino-1-methyl-1H-benzo[d]imidazol-4-yloxy)benzamido)propanoic acid
CID 44591126
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[(2-methyl-1H-benzimidazol-4-yl)oxy]propan-1-one
CID 45487307
3-[[1-Methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methoxy]benzoic acid
CID 68662186
N-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methoxy-4-(6-methoxy-1H-benzimidazol-2-yl)benzamide
CID 21101057
N-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-(6-methoxy-1H-benzimidazol-2-yl)benzamide
CID 21101059
2-[(4,6-difluoro-7-hydroxy-1H-benzimidazol-2-yl)-difluoromethyl]-N-[2-(4-fluorophenoxy)ethyl]-3-methylbenzimidazole-5-carboxamide
CID 44414211
1'-(4-methoxy-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 44580593
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-3-(morpholin-4-ylmethyl)benzamide
CID 44591534
(8S)-N-ethyl-2,3-dimethyl-8-(2-methylphenyl)-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 46222465
(8S)-2,3-dimethyl-8-(2-methylphenyl)-N-propyl-7,8-dihydro-6H-pyrano[2,3-e]benzimidazole-5-carboxamide
CID 46222466

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 21101143) is 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is COc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2c(O)cccc2[nH]1.
What is the InChIKey of 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is OMJQWSMCKAAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-29-19-14-15(22(28)23-8-3-9-26-10-12-30-13-11-26)6-7-16(19)21-24-17-4-2-5-18(27)20(17)25-21/h2,4-7,14,27H,3,8-13H2,1H3,(H,23,28)(H,24,25).
What are the key properties of 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide?
4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 410.47 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-1H-benzimidazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 21101143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).