3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C19H28Cl2N4O — CID 119866217

IUPAC3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCCn1c(C(C)NC(=O)C2C3CCC(C3)C2N)nc2ccccc21.Cl.Cl
InChIInChI=1S/C19H26N4O.2ClH/c1-3-23-15-7-5-4-6-14(15)22-18(23)11(2)21-19(24)16-12-8-9-13(10-12)17(16)20;;/h4-7,11-13,16-17H,3,8-10,20H2,1-2H3,(H,21,24);2*1H
InChIKeySVYGQNLSKNGZGH-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.45
Rot. Bonds4

About 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119866217) has the molecular formula C19H28Cl2N4O and a molecular weight of 399.37 g/mol. Its IUPAC name is 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119866217
Molecular FormulaC19H28Cl2N4O
Molecular Weight399.37 g/mol
Exact Mass398.16
IUPAC Name3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCCn1c(C(C)NC(=O)C2C3CCC(C3)C2N)nc2ccccc21.Cl.Cl
InChIInChI=1S/C19H26N4O.2ClH/c1-3-23-15-7-5-4-6-14(15)22-18(23)11(2)21-19(24)16-12-8-9-13(10-12)17(16)20;;/h4-7,11-13,16-17H,3,8-10,20H2,1-2H3,(H,21,24);2*1H
InChIKeySVYGQNLSKNGZGH-UHFFFAOYSA-N
XLogP3.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 120799188
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 86858410
3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16969632
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119866267
1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119866200
3-amino-N-[3-(2-methylbenzimidazol-1-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119832486
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119866268
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968393
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030116

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119866217) is 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is CCn1c(C(C)NC(=O)C2C3CCC(C3)C2N)nc2ccccc21.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is SVYGQNLSKNGZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.2ClH/c1-3-23-15-7-5-4-6-14(15)22-18(23)11(2)21-19(24)16-12-8-9-13(10-12)17(16)20;;/h4-7,11-13,16-17H,3,8-10,20H2,1-2H3,(H,21,24);2*1H.
What are the key properties of 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 399.37 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119866217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).