N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine

C16H26N4 — CID 82311321

IUPACN-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1nc2ccccc2n1C(C)CN
InChIInChI=1S/C16H26N4/c1-4-5-10-19(3)12-16-18-14-8-6-7-9-15(14)20(16)13(2)11-17/h6-9,13H,4-5,10-12,17H2,1-3H3
InChIKeyBLAIDRWPXVTNSF-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.79
Rot. Bonds7

About N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine

N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine (PubChem CID 82311321) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine
PubChem CID82311321
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1nc2ccccc2n1C(C)CN
InChIInChI=1S/C16H26N4/c1-4-5-10-19(3)12-16-18-14-8-6-7-9-15(14)20(16)13(2)11-17/h6-9,13H,4-5,10-12,17H2,1-3H3
InChIKeyBLAIDRWPXVTNSF-UHFFFAOYSA-N
XLogP2.79
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-butylbenzimidazol-1-yl)propan-1-amine
CID 82144544
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 134084372
1-heptan-2-yl-2-(2,2,2-trifluoroethyl)benzimidazole
CID 123158363
2-(2-ethylbenzimidazol-1-yl)-2-phenylethanamine
CID 63105228
N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 170866849
N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084278
N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
CID 81073466
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
(2S)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-1-ethylsulfonyl-N-methylpropan-2-amine
CID 95900557
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine (CID 82311321) is N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1nc2ccccc2n1C(C)CN.
What is the InChIKey of N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is BLAIDRWPXVTNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-4-5-10-19(3)12-16-18-14-8-6-7-9-15(14)20(16)13(2)11-17/h6-9,13H,4-5,10-12,17H2,1-3H3.
What are the key properties of N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine?
N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 82311321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).