3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride

C19H23ClN4O2 — CID 119770789

IUPAC3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride
SMILESCCOCCCn1c(NC(=O)c2cccc(N)c2)nc2ccccc21.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-2-25-12-6-11-23-17-10-4-3-9-16(17)21-19(23)22-18(24)14-7-5-8-15(20)13-14;/h3-5,7-10,13H,2,6,11-12,20H2,1H3,(H,21,22,24);1H
InChIKeyLLWFPLWQYJYSHT-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.72
Rot. Bonds7

About 3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride

3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride (PubChem CID 119770789) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride
PubChem CID119770789
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride
SMILESCCOCCCn1c(NC(=O)c2cccc(N)c2)nc2ccccc21.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-2-25-12-6-11-23-17-10-4-3-9-16(17)21-19(23)22-18(24)14-7-5-8-15(20)13-14;/h3-5,7-10,13H,2,6,11-12,20H2,1H3,(H,21,22,24);1H
InChIKeyLLWFPLWQYJYSHT-UHFFFAOYSA-N
XLogP3.72
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-[(3-aminobenzoyl)amino]benzimidazol-1-yl]propanoate
CID 68792716
3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
CID 110474422
2-[(3-aminobenzoyl)amino]-3-(3-methoxypropyl)benzimidazole-4-carboxamide
CID 70312601
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
(2S,5R)-5-(aminomethyl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120791823
3-[[1-(6-bromohexyl)benzimidazol-2-yl]carbamoyl]benzoic acid
CID 172789945
(2S,5R)-5-(aminomethyl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]oxolane-2-carboxamide
CID 120791824
3-ethoxy-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 35592391
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]acetamide
CID 119770786
N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770793

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride (CID 119770789) is 3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride is CCOCCCn1c(NC(=O)c2cccc(N)c2)nc2ccccc21.Cl.
What is the InChIKey of 3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride?
The InChIKey is LLWFPLWQYJYSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.ClH/c1-2-25-12-6-11-23-17-10-4-3-9-16(17)21-19(23)22-18(24)14-7-5-8-15(20)13-14;/h3-5,7-10,13H,2,6,11-12,20H2,1H3,(H,21,22,24);1H.
What are the key properties of 3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride?
3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-ethoxypropyl)benzimidazol-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119770789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).