4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide

C27H30N4O3 — CID 21100801

IUPAC4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCOc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2cc3ccccc3cc2[nH]1
InChIInChI=1S/C27H30N4O3/c1-2-34-25-18-21(27(32)28-10-5-11-31-12-14-33-15-13-31)8-9-22(25)26-29-23-16-19-6-3-4-7-20(19)17-24(23)30-26/h3-4,6-9,16-18H,2,5,10-15H2,1H3,(H,28,32)(H,29,30)
InChIKeySHBIKFXDABJSJC-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.23
Rot. Bonds8

About 4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide

4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 21100801) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID21100801
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCOc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2cc3ccccc3cc2[nH]1
InChIInChI=1S/C27H30N4O3/c1-2-34-25-18-21(27(32)28-10-5-11-31-12-14-33-15-13-31)8-9-22(25)26-29-23-16-19-6-3-4-7-20(19)17-24(23)30-26/h3-4,6-9,16-18H,2,5,10-15H2,1H3,(H,28,32)(H,29,30)
InChIKeySHBIKFXDABJSJC-UHFFFAOYSA-N
XLogP4.23
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 21100937
4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 21101044
3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 21101111
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
CID 46318912
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765508
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N-(3-aminopropyl)-4-(1H-benzo[f]benzimidazol-2-yl)-3-bromobenzamide
CID 21100790
N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 118913457
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 51155897

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide (CID 21100801) is 4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide is CCOc1cc(C(=O)NCCCN2CCOCC2)ccc1-c1nc2cc3ccccc3cc2[nH]1.
What is the InChIKey of 4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is SHBIKFXDABJSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-2-34-25-18-21(27(32)28-10-5-11-31-12-14-33-15-13-31)8-9-22(25)26-29-23-16-19-6-3-4-7-20(19)17-24(23)30-26/h3-4,6-9,16-18H,2,5,10-15H2,1H3,(H,28,32)(H,29,30).
What are the key properties of 4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide?
4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 458.56 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 21100801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).