10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride

C17H17ClN3- — CID 53313935

IUPAC10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride
SMILES[Cl-].c1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C17H17N3.ClH/c1-2-7-14(8-3-1)13-20-16-10-5-4-9-15(16)19-12-6-11-18-17(19)20;/h1-5,7-10H,6,11-13H2;1H/p-1
InChIKeySGUVBJSEJAVONU-UHFFFAOYSA-M
MW298.80 g/mol
LogP0.28
Rot. Bonds2

About 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride

10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride (PubChem CID 53313935) has the molecular formula C17H17ClN3- and a molecular weight of 298.80 g/mol. Its IUPAC name is 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride.

Molecular Properties

Compound Name10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride
PubChem CID53313935
Molecular FormulaC17H17ClN3-
Molecular Weight298.80 g/mol
Exact Mass298.11
IUPAC Name10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride
SMILES[Cl-].c1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C17H17N3.ClH/c1-2-7-14(8-3-1)13-20-16-10-5-4-9-15(16)19-12-6-11-18-17(19)20;/h1-5,7-10H,6,11-13H2;1H/p-1
InChIKeySGUVBJSEJAVONU-UHFFFAOYSA-M
XLogP0.28
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 653244
10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 155569158
10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 711733
10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
CID 90485798
10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
CID 6603340
4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 765716
4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide
CID 126476477
2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone
CID 791781
4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide
CID 155555618
4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride
CID 648020
2-[4-(2,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-11-ylmethyl)phenyl]benzonitrile
CID 155548591
4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
CID 126476392

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride?
The IUPAC name of 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride (CID 53313935) is 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride.
What is the SMILES notation for 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride?
The canonical SMILES for 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride is [Cl-].c1ccc(CN2C3=NCCCN3c3ccccc32)cc1.
What is the InChIKey of 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride?
The InChIKey is SGUVBJSEJAVONU-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17N3.ClH/c1-2-7-14(8-3-1)13-20-16-10-5-4-9-15(16)19-12-6-11-18-17(19)20;/h1-5,7-10H,6,11-13H2;1H/p-1.
What are the key properties of 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride?
10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride has a molecular weight of 298.80 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride is sourced from PubChem (CID 53313935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).