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

C23H21N3 — CID 155569158

IUPAC10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(CN3C4=NCCCN4c4ccccc43)cc2)cc1
InChIInChI=1S/C23H21N3/c1-2-7-19(8-3-1)20-13-11-18(12-14-20)17-26-22-10-5-4-9-21(22)25-16-6-15-24-23(25)26/h1-5,7-14H,6,15-17H2
InChIKeyWSSREFAJZDHHDO-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.94
Rot. Bonds3

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

10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (PubChem CID 155569158) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
PubChem CID155569158
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc(CN3C4=NCCCN4c4ccccc43)cc2)cc1
InChIInChI=1S/C23H21N3/c1-2-7-19(8-3-1)20-13-11-18(12-14-20)17-26-22-10-5-4-9-21(22)25-16-6-15-24-23(25)26/h1-5,7-14H,6,15-17H2
InChIKeyWSSREFAJZDHHDO-UHFFFAOYSA-N
XLogP4.94
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.94
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-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole chloride
CID 53313935
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
2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-phenylphenyl)ethanone;hydrobromide
CID 2853239
2-[4-(2,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-11-ylmethyl)phenyl]benzonitrile
CID 155548591
4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 765716
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;hydrobromide
CID 126476477
4-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-ylmethyl)benzoic acid;hydrobromide
CID 155555618
4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
CID 126476392
2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone
CID 791781

Frequently Asked Questions

What is the IUPAC name of 10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The IUPAC name of 10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (CID 155569158) is 10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole is c1ccc(-c2ccc(CN3C4=NCCCN4c4ccccc43)cc2)cc1.
What is the InChIKey of 10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The InChIKey is WSSREFAJZDHHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-2-7-19(8-3-1)20-13-11-18(12-14-20)17-26-22-10-5-4-9-21(22)25-16-6-15-24-23(25)26/h1-5,7-14H,6,15-17H2.
What are the key properties of 10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole has a molecular weight of 339.44 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 155569158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).