2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine

C21H25ClN4O — CID 119110535

IUPAC2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCn1c(CNCC(c2ccc(Cl)cc2)N2CCOCC2)nc2ccccc21
InChIInChI=1S/C21H25ClN4O/c1-25-19-5-3-2-4-18(19)24-21(25)15-23-14-20(26-10-12-27-13-11-26)16-6-8-17(22)9-7-16/h2-9,20,23H,10-15H2,1H3
InChIKeyMLHOJVMAQBPACA-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine

2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 119110535) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID119110535
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCn1c(CNCC(c2ccc(Cl)cc2)N2CCOCC2)nc2ccccc21
InChIInChI=1S/C21H25ClN4O/c1-25-19-5-3-2-4-18(19)24-21(25)15-23-14-20(26-10-12-27-13-11-26)16-6-8-17(22)9-7-16/h2-9,20,23H,10-15H2,1H3
InChIKeyMLHOJVMAQBPACA-UHFFFAOYSA-N
XLogP3.39
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 126769820
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine
CID 71883513
2-(4-chlorophenyl)-2-morpholin-4-yl-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 119110534
N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 75854207
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
N-ethyl-2-morpholin-4-yl-2-phenylethanamine;molecular hydrogen
CID 144767437
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
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
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95159798
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine
CID 60506241

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine (CID 119110535) is 2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine is Cn1c(CNCC(c2ccc(Cl)cc2)N2CCOCC2)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is MLHOJVMAQBPACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-25-19-5-3-2-4-18(19)24-21(25)15-23-14-20(26-10-12-27-13-11-26)16-6-8-17(22)9-7-16/h2-9,20,23H,10-15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine?
2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 384.91 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 119110535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).