N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine

C14H22N4 — CID 53274322

IUPACN',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCc1ccc2nc(CNCCCN(C)C)[nH]c2c1
InChIInChI=1S/C14H22N4/c1-11-5-6-12-13(9-11)17-14(16-12)10-15-7-4-8-18(2)3/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyQYCQYOWCZUKKAL-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.91
Rot. Bonds6

About N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine

N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine (PubChem CID 53274322) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine
PubChem CID53274322
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCc1ccc2nc(CNCCCN(C)C)[nH]c2c1
InChIInChI=1S/C14H22N4/c1-11-5-6-12-13(9-11)17-14(16-12)10-15-7-4-8-18(2)3/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyQYCQYOWCZUKKAL-UHFFFAOYSA-N
XLogP1.91
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine
CID 79257984
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 53274257
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propan-1-amine
CID 156771189
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119139524
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
N'-[[4-[[(6-methyl-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]methyl]-N-(pyridin-4-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11577553
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
N-ethyl-3-[methyl-[(6-methyl-1H-benzimidazol-2-yl)methyl]amino]propanamide
CID 91831683
6-methyl-2-(6-phenylhexyl)-1H-benzimidazole
CID 139625761
3-[(6-methyl-1H-benzimidazol-2-yl)amino]propan-1-ol
CID 2053602

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine (CID 53274322) is N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine is Cc1ccc2nc(CNCCCN(C)C)[nH]c2c1.
What is the InChIKey of N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine?
The InChIKey is QYCQYOWCZUKKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-5-6-12-13(9-11)17-14(16-12)10-15-7-4-8-18(2)3/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine?
N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine has a molecular weight of 246.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 53274322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).