1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine

C17H21N3O — CID 62633045

IUPAC1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine
SMILESCCC(NCCn1c(C)nc2ccccc21)c1ccco1
InChIInChI=1S/C17H21N3O/c1-3-14(17-9-6-12-21-17)18-10-11-20-13(2)19-15-7-4-5-8-16(15)20/h4-9,12,14,18H,3,10-11H2,1-2H3
InChIKeyNXNFJMOJFCUOCN-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.68
Rot. Bonds6

About 1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine

1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine (PubChem CID 62633045) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine
PubChem CID62633045
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine
SMILESCCC(NCCn1c(C)nc2ccccc21)c1ccco1
InChIInChI=1S/C17H21N3O/c1-3-14(17-9-6-12-21-17)18-10-11-20-13(2)19-15-7-4-5-8-16(15)20/h4-9,12,14,18H,3,10-11H2,1-2H3
InChIKeyNXNFJMOJFCUOCN-UHFFFAOYSA-N
XLogP3.68
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 63105832
5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine
CID 43103364
1-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-2-amine
CID 62536970
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butan-2-amine
CID 115707746
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
[1-(furan-2-yl)-2-(1-propylbenzimidazol-2-yl)ethyl]hydrazine
CID 105213713
(1R)-1-(furan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 81392850
N-[furan-2-yl(phenyl)methyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 51202325
N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 62345537
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one
CID 62567165

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine (CID 62633045) is 1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine is CCC(NCCn1c(C)nc2ccccc21)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine?
The InChIKey is NXNFJMOJFCUOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-14(17-9-6-12-21-17)18-10-11-20-13(2)19-15-7-4-5-8-16(15)20/h4-9,12,14,18H,3,10-11H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine?
1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62633045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).