N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine

C41H66N22O — CID 160923076

IUPACN-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine
SMILESC/N=C1\NCC(=O)N1.CN=C1NCCCN1.CN=C1NCCN1.CNc1ccc[nH]1.CNc1ccccn1.CNc1nc2ccccc2[nH]1.CNc1ncc[nH]1.CNc1ncccn1
InChIInChI=1S/C8H9N3.C6H8N2.C5H11N3.C5H7N3.C5H8N2.C4H7N3O.C4H9N3.C4H7N3/c1-9-8-10-6-4-2-3-5-7(6)11-8;1-7-6-4-2-3-5-8-6;2*1-6-5-7-3-2-4-8-5;1-6-5-3-2-4-7-5;1-5-4-6-2-3(8)7-4;2*1-5-4-6-2-3-7-4/h2-5H,1H3,(H2,9,10,11);2-5H,1H3,(H,7,8);2-4H2,1H3,(H2,6,7,8);2-4H,1H3,(H,6,7,8);2-4,6-7H,1H3;2H2,1H3,(H2,5,6,7,8);2-3H2,1H3,(H2,5,6,7);2-3H,1H3,(H2,5,6,7)
InChIKeySSGZJBPGPXHFRC-UHFFFAOYSA-N
MW883.13 g/mol
LogP2.17
Rot. Bonds5

About N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine

N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine (PubChem CID 160923076) has the molecular formula C41H66N22O and a molecular weight of 883.13 g/mol. Its IUPAC name is N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine
PubChem CID160923076
Molecular FormulaC41H66N22O
Molecular Weight883.13 g/mol
Exact Mass882.58
IUPAC NameN-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine
SMILESC/N=C1\NCC(=O)N1.CN=C1NCCCN1.CN=C1NCCN1.CNc1ccc[nH]1.CNc1ccccn1.CNc1nc2ccccc2[nH]1.CNc1ncc[nH]1.CNc1ncccn1
InChIInChI=1S/C8H9N3.C6H8N2.C5H11N3.C5H7N3.C5H8N2.C4H7N3O.C4H9N3.C4H7N3/c1-9-8-10-6-4-2-3-5-7(6)11-8;1-7-6-4-2-3-5-8-6;2*1-6-5-7-3-2-4-8-5;1-6-5-3-2-4-7-5;1-5-4-6-2-3(8)7-4;2*1-5-4-6-2-3-7-4/h2-5H,1H3,(H2,9,10,11);2-5H,1H3,(H,7,8);2-4H2,1H3,(H2,6,7,8);2-4H,1H3,(H,6,7,8);2-4,6-7H,1H3;2H2,1H3,(H2,5,6,7,8);2-3H2,1H3,(H2,5,6,7);2-3H,1H3,(H2,5,6,7)
InChIKeySSGZJBPGPXHFRC-UHFFFAOYSA-N
XLogP2.17
TPSA298.30 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.13
LogP ≤ 52.17
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine with MolForge

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Related Compounds

N-[4-[[2-[6-(trifluoromethyl)pyridin-2-yl]-7H-purin-6-yl]amino]pyridin-2-yl]acetamide
CID 126622422
N-(1H-benzimidazol-2-yl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]acetamide
CID 44420707
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-pyridin-3-ylpurin-6-amine
CID 145963824
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-(2-methyl-4-pyridinyl)purin-6-amine
CID 145965497
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-pyridin-4-ylpurin-6-amine
CID 145971011
N-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-pyridin-3-ylpurin-6-amine
CID 145972343
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-pyridin-2-ylpurin-6-amine
CID 145972722
N-(1H-benzimidazol-2-ylmethyl)-2-piperazin-1-yl-9-pyridin-3-ylpurin-6-amine
CID 145973723
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-9-(2-fluoro-4-pyridinyl)-2-(4-methylpiperazin-1-yl)purin-6-amine
CID 145974395
1-[4-[3-(1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 168274591
1-[4-[2-(1H-benzimidazol-2-yl)-3-pyridinyl]piperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 168286385
1H-benzimidazol-2-yl-[4-[3-(ethylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 455387

Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine?
The IUPAC name of N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine (CID 160923076) is N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine.
What is the SMILES notation for N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine?
The canonical SMILES for N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine is C/N=C1\NCC(=O)N1.CN=C1NCCCN1.CN=C1NCCN1.CNc1ccc[nH]1.CNc1ccccn1.CNc1nc2ccccc2[nH]1.CNc1ncc[nH]1.CNc1ncccn1.
What is the InChIKey of N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine?
The InChIKey is SSGZJBPGPXHFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.C6H8N2.C5H11N3.C5H7N3.C5H8N2.C4H7N3O.C4H9N3.C4H7N3/c1-9-8-10-6-4-2-3-5-7(6)11-8;1-7-6-4-2-3-5-8-6;2*1-6-5-7-3-2-4-8-5;1-6-5-3-2-4-7-5;1-5-4-6-2-3(8)7-4;2*1-5-4-6-2-3-7-4/h2-5H,1H3,(H2,9,10,11);2-5H,1H3,(H,7,8);2-4H2,1H3,(H2,6,7,8);2-4H,1H3,(H,6,7,8);2-4,6-7H,1H3;2H2,1H3,(H2,5,6,7,8);2-3H2,1H3,(H2,5,6,7);2-3H,1H3,(H2,5,6,7).
What are the key properties of N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine?
N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine has a molecular weight of 883.13 g/mol, XLogP of 2.17, 5 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-benzimidazol-2-amine;N-methyl-1,3-diazinan-2-imine;N-methyl-1H-imidazol-2-amine;N-methylimidazolidin-2-imine;2-methyliminoimidazolidin-4-one;N-methylpyridin-2-amine;N-methylpyrimidin-2-amine;N-methyl-1H-pyrrol-2-amine is sourced from PubChem (CID 160923076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).