N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine

C20H27N5 — CID 53326309

IUPACN'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine
SMILESCC(C)(c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C20H27N5/c1-20(2,18-11-5-7-13-22-18)25(14-8-6-12-21)15-19-23-16-9-3-4-10-17(16)24-19/h3-5,7,9-11,13H,6,8,12,14-15,21H2,1-2H3,(H,23,24)
InChIKeyZFQCEZRNXZLHIX-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.43
Rot. Bonds8

About N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine

N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine (PubChem CID 53326309) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine
PubChem CID53326309
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine
SMILESCC(C)(c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C20H27N5/c1-20(2,18-11-5-7-13-22-18)25(14-8-6-12-21)15-19-23-16-9-3-4-10-17(16)24-19/h3-5,7,9-11,13H,6,8,12,14-15,21H2,1-2H3,(H,23,24)
InChIKeyZFQCEZRNXZLHIX-UHFFFAOYSA-N
XLogP3.43
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-methyl-1-pyridin-2-ylpropyl)butane-1,4-diamine
CID 53318415
N'-(1H-benzimidazol-2-ylmethyl)-N'-(1-pyridin-2-ylpropyl)butane-1,4-diamine
CID 53325567
N'-(1H-benzimidazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 115319140
2-[4-aminobutyl(1H-benzimidazol-2-ylmethyl)amino]-2-pyridin-2-ylethanol
CID 58997063
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;trihydrochloride
CID 138756132
N'-(1H-benzimidazol-2-ylmethyl)-N'-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)butane-1,4-diamine;hydrochloride
CID 175826094
N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine
CID 22138631
N-(1H-benzimidazol-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 36516329
3-(1H-benzimidazol-2-ylmethylsulfanyl)propan-1-amine
CID 66220038
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310

Frequently Asked Questions

What is the IUPAC name of N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine?
The IUPAC name of N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine (CID 53326309) is N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine?
The canonical SMILES for N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine is CC(C)(c1ccccn1)N(CCCCN)Cc1nc2ccccc2[nH]1.
What is the InChIKey of N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine?
The InChIKey is ZFQCEZRNXZLHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-20(2,18-11-5-7-13-22-18)25(14-8-6-12-21)15-19-23-16-9-3-4-10-17(16)24-19/h3-5,7,9-11,13H,6,8,12,14-15,21H2,1-2H3,(H,23,24).
What are the key properties of N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine?
N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine has a molecular weight of 337.47 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-benzimidazol-2-ylmethyl)-N'-(2-pyridin-2-ylpropan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 53326309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).