10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride

C18H20ClN3 — CID 6603488

IUPAC10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCc1ccc(CN2C3=NCCCN3c3ccccc32)cc1.Cl
InChIInChI=1S/C18H19N3.ClH/c1-14-7-9-15(10-8-14)13-21-17-6-3-2-5-16(17)20-12-4-11-19-18(20)21;/h2-3,5-10H,4,11-13H2,1H3;1H
InChIKeyOBULTYYLTACRQO-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.00
Rot. Bonds2

About 10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride

10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (PubChem CID 6603488) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
PubChem CID6603488
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCc1ccc(CN2C3=NCCCN3c3ccccc32)cc1.Cl
InChIInChI=1S/C18H19N3.ClH/c1-14-7-9-15(10-8-14)13-21-17-6-3-2-5-16(17)20-12-4-11-19-18(20)21;/h2-3,5-10H,4,11-13H2,1H3;1H
InChIKeyOBULTYYLTACRQO-UHFFFAOYSA-N
XLogP4.00
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

GNF-Pf-4385
CID 759333
1-Ethyl-2,3-dimethyl-2-phenylbenzimidazole
CID 3124417
3H-Imidazo(1,2-a)benzimidazole, 2,9-dihydro-9-propyl-, monohydrochloride
CID 3066878
10-prop-2-enyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide
CID 16192900
9-(4-fluorobenzyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazole hydrochloride
CID 16681777
9-butyl-2-phenyl-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 23723094
10-(3-Methylbenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
CID 24761604
9-benzyl-3H-imidazo[1,2-a]benzimidazol-2(9H)-one
CID 752578
10-(2-Methylbenzyl)-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrochloride
CID 2881279
10-(4-Bromobenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole hydrochloride
CID 2881840
1,3-Bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide
CID 53376043
1,2,3-Trimethyl-2-phenyl-2,3-dihydro-1H-benzoimidazole
CID 799470

Frequently Asked Questions

What is the IUPAC name of 10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (CID 6603488) is 10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is Cc1ccc(CN2C3=NCCCN3c3ccccc32)cc1.Cl.
What is the InChIKey of 10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The InChIKey is OBULTYYLTACRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3.ClH/c1-14-7-9-15(10-8-14)13-21-17-6-3-2-5-16(17)20-12-4-11-19-18(20)21;/h2-3,5-10H,4,11-13H2,1H3;1H.
What are the key properties of 10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 6603488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).