N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide

C21H23ClN4O2 — CID 46976011

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NCC(c3ccc(Cl)cc3)N3CCOCC3)ccc21
InChIInChI=1S/C21H23ClN4O2/c1-25-14-24-18-12-16(4-7-19(18)25)21(27)23-13-20(26-8-10-28-11-9-26)15-2-5-17(22)6-3-15/h2-7,12,14,20H,8-11,13H2,1H3,(H,23,27)
InChIKeyKITCYBVBPIYRGW-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide (PubChem CID 46976011) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide
PubChem CID46976011
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)NCC(c3ccc(Cl)cc3)N3CCOCC3)ccc21
InChIInChI=1S/C21H23ClN4O2/c1-25-14-24-18-12-16(4-7-19(18)25)21(27)23-13-20(26-8-10-28-11-9-26)15-2-5-17(22)6-3-15/h2-7,12,14,20H,8-11,13H2,1H3,(H,23,27)
InChIKeyKITCYBVBPIYRGW-UHFFFAOYSA-N
XLogP3.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-methylpyridine-3-carboxamide
CID 60597091
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 60596930
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506584
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide
CID 4249333
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide
CID 30530459
3-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504455
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 60597261
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 138993157

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide (CID 46976011) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)NCC(c3ccc(Cl)cc3)N3CCOCC3)ccc21.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide?
The InChIKey is KITCYBVBPIYRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-25-14-24-18-12-16(4-7-19(18)25)21(27)23-13-20(26-8-10-28-11-9-26)15-2-5-17(22)6-3-15/h2-7,12,14,20H,8-11,13H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 46976011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).