N,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine

C21H26N6O — CID 129315633

IUPACN,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1CN(C)C
InChIInChI=1S/C21H26N6O/c1-15-20(14-26(2)3)25-21(24-15)19-11-16(4-5-23-19)17-10-18(13-22-12-17)27-6-8-28-9-7-27/h4-5,10-13H,6-9,14H2,1-3H3,(H,24,25)
InChIKeyBHUNKUZGRIJHKD-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.74
Rot. Bonds5

About N,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine

N,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine (PubChem CID 129315633) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine
PubChem CID129315633
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1CN(C)C
InChIInChI=1S/C21H26N6O/c1-15-20(14-26(2)3)25-21(24-15)19-11-16(4-5-23-19)17-10-18(13-22-12-17)27-6-8-28-9-7-27/h4-5,10-13H,6-9,14H2,1-3H3,(H,24,25)
InChIKeyBHUNKUZGRIJHKD-UHFFFAOYSA-N
XLogP2.74
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine (CID 129315633) is N,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine is Cc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1CN(C)C.
What is the InChIKey of N,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine?
The InChIKey is BHUNKUZGRIJHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15-20(14-26(2)3)25-21(24-15)19-11-16(4-5-23-19)17-10-18(13-22-12-17)27-6-8-28-9-7-27/h4-5,10-13H,6-9,14H2,1-3H3,(H,24,25).
What are the key properties of N,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine?
N,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine has a molecular weight of 378.48 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine is sourced from PubChem (CID 129315633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).