N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine

C17H21N3S — CID 79756302

IUPACN-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine
SMILESCCCn1c(CC(NC)c2ccsc2)nc2ccccc21
InChIInChI=1S/C17H21N3S/c1-3-9-20-16-7-5-4-6-14(16)19-17(20)11-15(18-2)13-8-10-21-12-13/h4-8,10,12,15,18H,3,9,11H2,1-2H3
InChIKeyHYESRADYCPITLU-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.01
Rot. Bonds6

About N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine

N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine (PubChem CID 79756302) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine
PubChem CID79756302
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine
SMILESCCCn1c(CC(NC)c2ccsc2)nc2ccccc21
InChIInChI=1S/C17H21N3S/c1-3-9-20-16-7-5-4-6-14(16)19-17(20)11-15(18-2)13-8-10-21-12-13/h4-8,10,12,15,18H,3,9,11H2,1-2H3
InChIKeyHYESRADYCPITLU-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N,3-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 79751005
N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 105007167
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 105007716
[1-(furan-2-yl)-2-(1-propylbenzimidazol-2-yl)ethyl]hydrazine
CID 105213713
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
(3R)-3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-thiophen-3-ylpropanoic acid
CID 99796637
N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757032
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
N,2-dimethyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79751254
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine?
The IUPAC name of N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine (CID 79756302) is N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine?
The canonical SMILES for N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine is CCCn1c(CC(NC)c2ccsc2)nc2ccccc21.
What is the InChIKey of N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine?
The InChIKey is HYESRADYCPITLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-3-9-20-16-7-5-4-6-14(16)19-17(20)11-15(18-2)13-8-10-21-12-13/h4-8,10,12,15,18H,3,9,11H2,1-2H3.
What are the key properties of N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine?
N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine has a molecular weight of 299.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-propylbenzimidazol-2-yl)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 79756302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).