1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride

C20H18ClN5O — CID 162316440

IUPAC1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride
SMILESCc1cccc2c1NC(=CC(=O)c1ccc3nc[nH]c3c1)N1CCN=C21.Cl
InChIInChI=1S/C20H17N5O.ClH/c1-12-3-2-4-14-19(12)24-18(25-8-7-21-20(14)25)10-17(26)13-5-6-15-16(9-13)23-11-22-15;/h2-6,9-11,24H,7-8H2,1H3,(H,22,23);1H
InChIKeyMGJRHPDODPESCK-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.51
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride

1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride (PubChem CID 162316440) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride
PubChem CID162316440
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride
SMILESCc1cccc2c1NC(=CC(=O)c1ccc3nc[nH]c3c1)N1CCN=C21.Cl
InChIInChI=1S/C20H17N5O.ClH/c1-12-3-2-4-14-19(12)24-18(25-8-7-21-20(14)25)10-17(26)13-5-6-15-16(9-13)23-11-22-15;/h2-6,9-11,24H,7-8H2,1H3,(H,22,23);1H
InChIKeyMGJRHPDODPESCK-UHFFFAOYSA-N
XLogP3.51
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3H-benzimidazol-5-yl)-2-(3,6,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,7,10,12-pentaen-7-yl)ethanone
CID 91544121
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
3H-benzimidazol-5-yl-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43582193
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-(2,3-dimethylphenoxy)ethanone
CID 108535721
3H-benzimidazol-5-yl-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 2472782
2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-[6-(methylamino)-3-pyridinyl]ethanone
CID 66595074
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
3H-benzimidazol-5-yl-(4,4-dimethylazepan-1-yl)methanone
CID 65282069
N-piperidin-1-yl-3H-benzimidazole-5-carboxamide
CID 69436503
1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone
CID 82052590

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride (CID 162316440) is 1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride is Cc1cccc2c1NC(=CC(=O)c1ccc3nc[nH]c3c1)N1CCN=C21.Cl.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride?
The InChIKey is MGJRHPDODPESCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O.ClH/c1-12-3-2-4-14-19(12)24-18(25-8-7-21-20(14)25)10-17(26)13-5-6-15-16(9-13)23-11-22-15;/h2-6,9-11,24H,7-8H2,1H3,(H,22,23);1H.
What are the key properties of 1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride?
1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride has a molecular weight of 379.85 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-2-(7-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)ethanone;hydrochloride is sourced from PubChem (CID 162316440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).