N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide

C26H34N6O — CID 111907367

IUPACN,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide
SMILESCc1nc2ccccc2n1CCCN/C(=N\CC(=O)N(C)C)NC1CCc2ccccc2C1
InChIInChI=1S/C26H34N6O/c1-19-29-23-11-6-7-12-24(23)32(19)16-8-15-27-26(28-18-25(33)31(2)3)30-22-14-13-20-9-4-5-10-21(20)17-22/h4-7,9-12,22H,8,13-18H2,1-3H3,(H2,27,28,30)
InChIKeyABCOHQFOINIODT-UHFFFAOYSA-N
MW446.60 g/mol
LogP2.92
Rot. Bonds7

About N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide (PubChem CID 111907367) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide
PubChem CID111907367
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC NameN,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide
SMILESCc1nc2ccccc2n1CCCN/C(=N\CC(=O)N(C)C)NC1CCc2ccccc2C1
InChIInChI=1S/C26H34N6O/c1-19-29-23-11-6-7-12-24(23)32(19)16-8-15-27-26(28-18-25(33)31(2)3)30-22-14-13-20-9-4-5-10-21(20)17-22/h4-7,9-12,22H,8,13-18H2,1-3H3,(H2,27,28,30)
InChIKeyABCOHQFOINIODT-UHFFFAOYSA-N
XLogP2.92
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-[(2-methylcyclohexyl)amino]methylidene]amino]acetamide
CID 111841998
N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111651653
2-[[[2-[di(propan-2-yl)amino]ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111906916
2-[[[2-(4-fluorophenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111906820
N-cyclohexyl-2-[[ethylamino-[3-(2-methylbenzimidazol-1-yl)propylamino]methylidene]amino]acetamide
CID 111352652
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 47238303
1-cyclohexyl-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 110958689
2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907152
2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907662
N-[2-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111352828
N,N-dimethyl-1-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 111352426
2-(cyclopropylmethyl)-1-ethyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352386

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide (CID 111907367) is N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide is Cc1nc2ccccc2n1CCCN/C(=N\CC(=O)N(C)C)NC1CCc2ccccc2C1.
What is the InChIKey of N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide?
The InChIKey is ABCOHQFOINIODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-19-29-23-11-6-7-12-24(23)32(19)16-8-15-27-26(28-18-25(33)31(2)3)30-22-14-13-20-9-4-5-10-21(20)17-22/h4-7,9-12,22H,8,13-18H2,1-3H3,(H2,27,28,30).
What are the key properties of N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide has a molecular weight of 446.60 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111907367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).