N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine

C21H32N4O — CID 70865776

IUPACN-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
SMILESCCn1c(CCN(C)C2CCC2)nc2cc(CN3CCOCC3)ccc21
InChIInChI=1S/C21H32N4O/c1-3-25-20-8-7-17(16-24-11-13-26-14-12-24)15-19(20)22-21(25)9-10-23(2)18-5-4-6-18/h7-8,15,18H,3-6,9-14,16H2,1-2H3
InChIKeyRCBLHKSVDAMQML-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.92
Rot. Bonds7

About N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine

N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine (PubChem CID 70865776) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine.

Molecular Properties

Compound NameN-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
PubChem CID70865776
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
SMILESCCn1c(CCN(C)C2CCC2)nc2cc(CN3CCOCC3)ccc21
InChIInChI=1S/C21H32N4O/c1-3-25-20-8-7-17(16-24-11-13-26-14-12-24)15-19(20)22-21(25)9-10-23(2)18-5-4-6-18/h7-8,15,18H,3-6,9-14,16H2,1-2H3
InChIKeyRCBLHKSVDAMQML-UHFFFAOYSA-N
XLogP2.92
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Emedastine
CID 3219
Alinastine
CID 132974
Pyrrol-3(2H)-one, 5-amino-1-benzyl)-4-(1-methyl-2-benzimidazolyl)-
CID 135519505
2-Methoxy-4-{1-[2-(Morpholin-4-Yl)ethyl]-2-(2-Phenylethyl)-1h-Benzimidazol-5-Yl}cyclohepta-2,4,6-Trien-1-One
CID 91971372
1-(1-benzyl-1H-benzimidazol-2-yl)ethanol
CID 2859396
1-(2-methoxyethyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 5292997
[1-(1-phenylethyl)-1H-benzimidazol-2-yl]methanol
CID 3147347
1-[1-(2-phenylethyl)-1H-benzimidazol-2-yl]propan-1-ol
CID 23607144
N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-amine
CID 658809
1-(2-Methylprop-2-enyl)-2-phenylbenzimidazole
CID 881644
N-[[4-(diethylamino)phenyl]methyl]-1-[2-(1-piperidinyl)ethyl]-2-benzimidazolamine
CID 1290899
1-Benzyl-2-(4-methyl-piperazin-1-yl)-1H-benzoimidazole
CID 2773189

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine?
The IUPAC name of N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine (CID 70865776) is N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine.
What is the SMILES notation for N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine?
The canonical SMILES for N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine is CCn1c(CCN(C)C2CCC2)nc2cc(CN3CCOCC3)ccc21.
What is the InChIKey of N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine?
The InChIKey is RCBLHKSVDAMQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-3-25-20-8-7-17(16-24-11-13-26-14-12-24)15-19(20)22-21(25)9-10-23(2)18-5-4-6-18/h7-8,15,18H,3-6,9-14,16H2,1-2H3.
What are the key properties of N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine?
N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine has a molecular weight of 356.51 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine is sourced from PubChem (CID 70865776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).