[(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone

C20H22N4O2 — CID 126434480

IUPAC[(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone
SMILESNCC[C@@H]1CN(C(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)CCO1
InChIInChI=1S/C20H22N4O2/c21-9-8-16-13-24(10-11-26-16)20(25)15-5-3-4-14(12-15)19-22-17-6-1-2-7-18(17)23-19/h1-7,12,16H,8-11,13,21H2,(H,22,23)/t16-/m1/s1
InChIKeyBYQQBHDFXSFQHJ-MRXNPFEDSA-N
MW350.42 g/mol
LogP2.42
Rot. Bonds4

About [(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone

[(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone (PubChem CID 126434480) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone
PubChem CID126434480
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone
SMILESNCC[C@@H]1CN(C(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)CCO1
InChIInChI=1S/C20H22N4O2/c21-9-8-16-13-24(10-11-26-16)20(25)15-5-3-4-14(12-15)19-22-17-6-1-2-7-18(17)23-19/h1-7,12,16H,8-11,13,21H2,(H,22,23)/t16-/m1/s1
InChIKeyBYQQBHDFXSFQHJ-MRXNPFEDSA-N
XLogP2.42
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[(2S)-2-(2-aminoethyl)morpholin-4-yl]-[3-(2-amino-6-methyl-3-pyridinyl)phenyl]methanone
CID 126426185
[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride
CID 154904026
1-[4-[3-(1H-benzimidazol-2-yl)benzoyl]-1,4-diazepan-1-yl]ethanone
CID 119063003
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
[3-[4-(aminomethyl)phenyl]phenyl]-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 155967933
4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 126452002
3-[2-(hydroxymethyl)morpholine-4-carbonyl]benzenecarbothioamide
CID 81203400
[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone
CID 138672421
3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide
CID 168555256
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 61338561
phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840430
2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 129401275

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone (CID 126434480) is [(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone is NCC[C@@H]1CN(C(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)CCO1.
What is the InChIKey of [(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone?
The InChIKey is BYQQBHDFXSFQHJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-9-8-16-13-24(10-11-26-16)20(25)15-5-3-4-14(12-15)19-22-17-6-1-2-7-18(17)23-19/h1-7,12,16H,8-11,13,21H2,(H,22,23)/t16-/m1/s1.
What are the key properties of [(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone?
[(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone has a molecular weight of 350.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2-aminoethyl)morpholin-4-yl]-[3-(1H-benzimidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 126434480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).