N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide

C20H22N4O2 — CID 42948401

IUPACN-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H22N4O2/c25-20(16-6-7-17-18(12-16)23-14-22-17)21-13-19(15-4-2-1-3-5-15)24-8-10-26-11-9-24/h1-7,12,14,19H,8-11,13H2,(H,21,25)(H,22,23)
InChIKeyKEOVNCGQFQTOFM-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.37
Rot. Bonds5

About N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide

N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 42948401) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide
PubChem CID42948401
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H22N4O2/c25-20(16-6-7-17-18(12-16)23-14-22-17)21-13-19(15-4-2-1-3-5-15)24-8-10-26-11-9-24/h1-7,12,14,19H,8-11,13H2,(H,21,25)(H,22,23)
InChIKeyKEOVNCGQFQTOFM-UHFFFAOYSA-N
XLogP2.37
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride
CID 119853244
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide
CID 4249333
N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 46578774
4-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-3-nitrobenzamide
CID 55574889
4-amino-N-(2-morpholin-4-yl-2-phenylethyl)-3-nitrobenzamide
CID 46578636
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
CID 77091232
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide
CID 30530459
N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 56791414
N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110743625
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 30834711
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 18589031

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide (CID 42948401) is N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide is O=C(NCC(c1ccccc1)N1CCOCC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is KEOVNCGQFQTOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(16-6-7-17-18(12-16)23-14-22-17)21-13-19(15-4-2-1-3-5-15)24-8-10-26-11-9-24/h1-7,12,14,19H,8-11,13H2,(H,21,25)(H,22,23).
What are the key properties of N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide?
N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-phenylethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 42948401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).