N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine

C18H20N6 — CID 126918903

IUPACN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine
SMILESCN(c1nc2ccccc2[nH]1)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C18H20N6/c1-23(18-19-15-6-2-3-7-16(15)20-18)13-10-24(11-13)17-9-12-5-4-8-14(12)21-22-17/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H,19,20)
InChIKeyMBSKBPUPIOUKOT-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.17
Rot. Bonds3

About N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine

N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine (PubChem CID 126918903) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine
PubChem CID126918903
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine
SMILESCN(c1nc2ccccc2[nH]1)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C18H20N6/c1-23(18-19-15-6-2-3-7-16(15)20-18)13-10-24(11-13)17-9-12-5-4-8-14(12)21-22-17/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H,19,20)
InChIKeyMBSKBPUPIOUKOT-UHFFFAOYSA-N
XLogP2.17
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1,3-benzoxazol-2-amine
CID 126918884
N-cyclobutyl-N-methyl-1H-benzimidazol-2-amine
CID 115143834
N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919881
N-methyl-1,1-dioxo-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-benzothiazol-3-amine
CID 126919633
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrido[2,3-d]pyrimidin-4-amine
CID 126919209
6-tert-butyl-N-methyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyridazin-3-amine
CID 126919645
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide
CID 126918858
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylisoquinoline-1-carboxamide
CID 126918796
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-amine
CID 126919204
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]cyclopentan-1-ol
CID 126919169
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide
CID 126918821
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
CID 126918908

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine (CID 126918903) is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine is CN(c1nc2ccccc2[nH]1)C1CN(c2cc3c(nn2)CCC3)C1.
What is the InChIKey of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine?
The InChIKey is MBSKBPUPIOUKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-23(18-19-15-6-2-3-7-16(15)20-18)13-10-24(11-13)17-9-12-5-4-8-14(12)21-22-17/h2-3,6-7,9,13H,4-5,8,10-11H2,1H3,(H,19,20).
What are the key properties of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine?
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine has a molecular weight of 320.40 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 126918903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).