N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine

C16H25N3 — CID 79751254

IUPACN,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
SMILESCCCn1c(CCC(C)CNC)nc2ccccc21
InChIInChI=1S/C16H25N3/c1-4-11-19-15-8-6-5-7-14(15)18-16(19)10-9-13(2)12-17-3/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyKMAJFSBZAGMJRU-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.23
Rot. Bonds7

About N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine

N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine (PubChem CID 79751254) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
PubChem CID79751254
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
SMILESCCCn1c(CCC(C)CNC)nc2ccccc21
InChIInChI=1S/C16H25N3/c1-4-11-19-15-8-6-5-7-14(15)18-16(19)10-9-13(2)12-17-3/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyKMAJFSBZAGMJRU-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79750506
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750199
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
2,2-dimethyl-6-(1-propylbenzimidazol-2-yl)hexan-3-ol
CID 79757616
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
N,3-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 79751005
2-(4-bromo-2-methylpentyl)-1-propylbenzimidazole
CID 79751264
2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750882
2-methyl-N-[3-(2-propylbenzimidazol-1-yl)propyl]propan-1-amine
CID 115970737
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 170866848

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine (CID 79751254) is N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine is CCCn1c(CCC(C)CNC)nc2ccccc21.
What is the InChIKey of N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is KMAJFSBZAGMJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-11-19-15-8-6-5-7-14(15)18-16(19)10-9-13(2)12-17-3/h5-8,13,17H,4,9-12H2,1-3H3.
What are the key properties of N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine?
N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 79751254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).