6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine

C18H20N4O — CID 110376992

IUPAC6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(Nc3ccc(N4CCOCC4)cc3)[nH]c2c1
InChIInChI=1S/C18H20N4O/c1-13-2-7-16-17(12-13)21-18(20-16)19-14-3-5-15(6-4-14)22-8-10-23-11-9-22/h2-7,12H,8-11H2,1H3,(H2,19,20,21)
InChIKeyWTGHMTPZEIRLNG-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.45
Rot. Bonds3

About 6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine

6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine (PubChem CID 110376992) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
PubChem CID110376992
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine
SMILESCc1ccc2nc(Nc3ccc(N4CCOCC4)cc3)[nH]c2c1
InChIInChI=1S/C18H20N4O/c1-13-2-7-16-17(12-13)21-18(20-16)19-14-3-5-15(6-4-14)22-8-10-23-11-9-22/h2-7,12H,8-11H2,1H3,(H2,19,20,21)
InChIKeyWTGHMTPZEIRLNG-UHFFFAOYSA-N
XLogP3.45
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine
CID 110377051
ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 143267063
2-(4-morpholin-4-ylanilino)-N-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonamide
CID 90217141
N-methyl-N'-[4-methyl-2-(6-morpholin-4-yl-1H-benzimidazol-2-yl)phenyl]ethane-1,2-diamine
CID 141053448
6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine
CID 117092148
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 71543431
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
4-[1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine
CID 57270676
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine (CID 110376992) is 6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine is Cc1ccc2nc(Nc3ccc(N4CCOCC4)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine?
The InChIKey is WTGHMTPZEIRLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-2-7-16-17(12-13)21-18(20-16)19-14-3-5-15(6-4-14)22-8-10-23-11-9-22/h2-7,12H,8-11H2,1H3,(H2,19,20,21).
What are the key properties of 6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine?
6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine has a molecular weight of 308.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-morpholin-4-ylphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 110376992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).