4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide

C28H29N5O3 — CID 55945184

IUPAC4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1
InChIInChI=1S/C28H29N5O3/c34-27(12-13-32-14-16-36-17-15-32)31-23-5-3-4-21(18-23)19-29-28(35)22-8-10-24(11-9-22)33-20-30-25-6-1-2-7-26(25)33/h1-11,18,20H,12-17,19H2,(H,29,35)(H,31,34)
InChIKeyRMPAMBSAGOSKCY-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.62
Rot. Bonds8

About 4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide

4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide (PubChem CID 55945184) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
PubChem CID55945184
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1
InChIInChI=1S/C28H29N5O3/c34-27(12-13-32-14-16-36-17-15-32)31-23-5-3-4-21(18-23)19-29-28(35)22-8-10-24(11-9-22)33-20-30-25-6-1-2-7-26(25)33/h1-11,18,20H,12-17,19H2,(H,29,35)(H,31,34)
InChIKeyRMPAMBSAGOSKCY-UHFFFAOYSA-N
XLogP3.62
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24549547
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
CID 55991087
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
3-methylsulfonyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55887600
4-(benzimidazol-1-yl)-N-[3-(sulfamoylmethyl)phenyl]benzamide
CID 60610861
1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 118772871
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide
CID 55888484
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55889391
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
CID 120642238

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide (CID 55945184) is 4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide is O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)c2ccc(-n3cnc4ccccc43)cc2)c1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide?
The InChIKey is RMPAMBSAGOSKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3/c34-27(12-13-32-14-16-36-17-15-32)31-23-5-3-4-21(18-23)19-29-28(35)22-8-10-24(11-9-22)33-20-30-25-6-1-2-7-26(25)33/h1-11,18,20H,12-17,19H2,(H,29,35)(H,31,34).
What are the key properties of 4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide?
4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide has a molecular weight of 483.57 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 55945184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).