N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine

C21H27N5O — CID 141053448

IUPACN-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine
SMILESCNCCNc1ccc(C)cc1-c1nc2ccc(N3CCOCC3)cc2[nH]1
InChIInChI=1S/C21H27N5O/c1-15-3-5-18(23-8-7-22-2)17(13-15)21-24-19-6-4-16(14-20(19)25-21)26-9-11-27-12-10-26/h3-6,13-14,22-23H,7-12H2,1-2H3,(H,24,25)
InChIKeyOPIAXZYCLAVFFK-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.01
Rot. Bonds6

About N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine

N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine (PubChem CID 141053448) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine
PubChem CID141053448
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine
SMILESCNCCNc1ccc(C)cc1-c1nc2ccc(N3CCOCC3)cc2[nH]1
InChIInChI=1S/C21H27N5O/c1-15-3-5-18(23-8-7-22-2)17(13-15)21-24-19-6-4-16(14-20(19)25-21)26-9-11-27-12-10-26/h3-6,13-14,22-23H,7-12H2,1-2H3,(H,24,25)
InChIKeyOPIAXZYCLAVFFK-UHFFFAOYSA-N
XLogP3.01
TPSA65.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
CID 110376992
4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine
CID 143859047
N-[6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 154238951
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-4-amine
CID 174489954
2-(1H-benzimidazol-2-yl)-5-morpholin-4-ylphenol
CID 168554407
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
1-amino-6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)quinolin-2-one
CID 162189422
2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138662183
4-[4-[5-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine
CID 67114161
6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 141079632
3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820455
6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 168514664

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine (CID 141053448) is N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine is CNCCNc1ccc(C)cc1-c1nc2ccc(N3CCOCC3)cc2[nH]1.
What is the InChIKey of N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine?
The InChIKey is OPIAXZYCLAVFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-15-3-5-18(23-8-7-22-2)17(13-15)21-24-19-6-4-16(14-20(19)25-21)26-9-11-27-12-10-26/h3-6,13-14,22-23H,7-12H2,1-2H3,(H,24,25).
What are the key properties of N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine?
N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine has a molecular weight of 365.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 141053448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).