N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide

C31H35N5O3 — CID 67112884

IUPACN-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1ccc2nc(-c3ccc(N4CCC(CCO)CC4)cc3)[nH]c2c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C31H35N5O3/c37-18-13-22-11-14-35(15-12-22)26-6-1-23(2-7-26)30-33-28-10-5-25(21-29(28)34-30)32-31(38)24-3-8-27(9-4-24)36-16-19-39-20-17-36/h1-10,21-22,37H,11-20H2,(H,32,38)(H,33,34)
InChIKeyURJGGVXLSSSAKH-UHFFFAOYSA-N
MW525.65 g/mol
LogP4.92
Rot. Bonds7

About N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide

N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide (PubChem CID 67112884) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide
PubChem CID67112884
Molecular FormulaC31H35N5O3
Molecular Weight525.65 g/mol
Exact Mass525.27
IUPAC NameN-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide
SMILESO=C(Nc1ccc2nc(-c3ccc(N4CCC(CCO)CC4)cc3)[nH]c2c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C31H35N5O3/c37-18-13-22-11-14-35(15-12-22)26-6-1-23(2-7-26)30-33-28-10-5-25(21-29(28)34-30)32-31(38)24-3-8-27(9-4-24)36-16-19-39-20-17-36/h1-10,21-22,37H,11-20H2,(H,32,38)(H,33,34)
InChIKeyURJGGVXLSSSAKH-UHFFFAOYSA-N
XLogP4.92
TPSA93.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.65
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
4-[6-[2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 148819854
cyclopropylimino-[4-[6-[[4-(3-hydroxypyrrolidin-1-yl)benzoyl]amino]-1H-benzimidazol-2-yl]benzoyl]iminoazanium
CID 175279918
2-[2-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone
CID 149226429
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
CID 142812894
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
4-(6-benzamido-1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)benzamide
CID 20740000
N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide
CID 174693151
2-[4-[2-(1-phenylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 67073354
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide (CID 67112884) is N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide is O=C(Nc1ccc2nc(-c3ccc(N4CCC(CCO)CC4)cc3)[nH]c2c1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is URJGGVXLSSSAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c37-18-13-22-11-14-35(15-12-22)26-6-1-23(2-7-26)30-33-28-10-5-25(21-29(28)34-30)32-31(38)24-3-8-27(9-4-24)36-16-19-39-20-17-36/h1-10,21-22,37H,11-20H2,(H,32,38)(H,33,34).
What are the key properties of N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide?
N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 525.65 g/mol, XLogP of 4.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-3H-benzimidazol-5-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 67112884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).