N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

C17H26N4 — CID 61020851

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCn1c(CNCCCN2CCCC2)nc2ccccc21
InChIInChI=1S/C17H26N4/c1-2-21-16-9-4-3-8-15(16)19-17(21)14-18-10-7-13-20-11-5-6-12-20/h3-4,8-9,18H,2,5-7,10-14H2,1H3
InChIKeyKIOJAYGVCUMHTB-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.63
Rot. Bonds7

About N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine

N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 61020851) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID61020851
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCn1c(CNCCCN2CCCC2)nc2ccccc21
InChIInChI=1S/C17H26N4/c1-2-21-16-9-4-3-8-15(16)19-17(21)14-18-10-7-13-20-11-5-6-12-20/h3-4,8-9,18H,2,5-7,10-14H2,1H3
InChIKeyKIOJAYGVCUMHTB-UHFFFAOYSA-N
XLogP2.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-piperidin-1-ylethanamine
CID 60696042
3-(4-benzylpiperazin-1-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
CID 112844244
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 54906324
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765848
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine
CID 56816229
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine
CID 134084343

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 61020851) is N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is CCn1c(CNCCCN2CCCC2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is KIOJAYGVCUMHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-21-16-9-4-3-8-15(16)19-17(21)14-18-10-7-13-20-11-5-6-12-20/h3-4,8-9,18H,2,5-7,10-14H2,1H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 61020851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).