1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine

C17H28N4 — CID 82024804

IUPAC1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1nc2ccccc2n1CCCN(C)C
InChIInChI=1S/C17H28N4/c1-13(2)12-14(18)17-19-15-8-5-6-9-16(15)21(17)11-7-10-20(3)4/h5-6,8-9,13-14H,7,10-12,18H2,1-4H3
InChIKeyYGEIUTQEPLBPHT-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.03
Rot. Bonds7

About 1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine

1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine (PubChem CID 82024804) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine
PubChem CID82024804
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1nc2ccccc2n1CCCN(C)C
InChIInChI=1S/C17H28N4/c1-13(2)12-14(18)17-19-15-8-5-6-9-16(15)21(17)11-7-10-20(3)4/h5-6,8-9,13-14H,7,10-12,18H2,1-4H3
InChIKeyYGEIUTQEPLBPHT-UHFFFAOYSA-N
XLogP3.03
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 43470294
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333059
3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311877
2-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-N'-hydroxyethanimidamide
CID 114526601
2-methoxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanamine
CID 81078269
N-[[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methyl]acetamide
CID 52904872
3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol
CID 61228731
1-[1-(2-methoxyethyl)benzimidazol-2-yl]propan-1-amine
CID 62388121
3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311878
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 79292216

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine (CID 82024804) is 1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine is CC(C)CC(N)c1nc2ccccc2n1CCCN(C)C.
What is the InChIKey of 1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine?
The InChIKey is YGEIUTQEPLBPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13(2)12-14(18)17-19-15-8-5-6-9-16(15)21(17)11-7-10-20(3)4/h5-6,8-9,13-14H,7,10-12,18H2,1-4H3.
What are the key properties of 1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine?
1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 82024804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).