2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine

C17H27N3 — CID 79750882

IUPAC2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)CCc1nc2ccccc2n1C
InChIInChI=1S/C17H27N3/c1-13(2)11-18-12-14(3)9-10-17-19-15-7-5-6-8-16(15)20(17)4/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeySCJACJTVSXCAGI-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.39
Rot. Bonds7

About 2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine

2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 79750882) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID79750882
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)CCc1nc2ccccc2n1C
InChIInChI=1S/C17H27N3/c1-13(2)11-18-12-14(3)9-10-17-19-15-7-5-6-8-16(15)20(17)4/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeySCJACJTVSXCAGI-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750722
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine
CID 83961987
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
N,5-dimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-amine
CID 79750546
N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79751254
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79750506
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
CID 81015250

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine (CID 79750882) is 2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C)CCc1nc2ccccc2n1C.
What is the InChIKey of 2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is SCJACJTVSXCAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(2)11-18-12-14(3)9-10-17-19-15-7-5-6-8-16(15)20(17)4/h5-8,13-14,18H,9-12H2,1-4H3.
What are the key properties of 2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine?
2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79750882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).