10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride

C19H21Cl2N3 — CID 2870518

IUPAC10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCc1cc2c(cc1C)N(Cc1ccc(Cl)cc1)C1=NCCCN12.Cl
InChIInChI=1S/C19H20ClN3.ClH/c1-13-10-17-18(11-14(13)2)23(19-21-8-3-9-22(17)19)12-15-4-6-16(20)7-5-15;/h4-7,10-11H,3,8-9,12H2,1-2H3;1H
InChIKeyYSIBNOSGEBOHHQ-UHFFFAOYSA-N
MW362.30 g/mol
LogP4.96
Rot. Bonds2

About 10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride

10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (PubChem CID 2870518) has the molecular formula C19H21Cl2N3 and a molecular weight of 362.30 g/mol. Its IUPAC name is 10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
PubChem CID2870518
Molecular FormulaC19H21Cl2N3
Molecular Weight362.30 g/mol
Exact Mass361.11
IUPAC Name10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCc1cc2c(cc1C)N(Cc1ccc(Cl)cc1)C1=NCCCN12.Cl
InChIInChI=1S/C19H20ClN3.ClH/c1-13-10-17-18(11-14(13)2)23(19-21-8-3-9-22(17)19)12-15-4-6-16(20)7-5-15;/h4-7,10-11H,3,8-9,12H2,1-2H3;1H
InChIKeyYSIBNOSGEBOHHQ-UHFFFAOYSA-N
XLogP4.96
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (CID 2870518) is 10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is Cc1cc2c(cc1C)N(Cc1ccc(Cl)cc1)C1=NCCCN12.Cl.
What is the InChIKey of 10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The InChIKey is YSIBNOSGEBOHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3.ClH/c1-13-10-17-18(11-14(13)2)23(19-21-8-3-9-22(17)19)12-15-4-6-16(20)7-5-15;/h4-7,10-11H,3,8-9,12H2,1-2H3;1H.
What are the key properties of 10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride has a molecular weight of 362.30 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-chlorophenyl)methyl]-7,8-dimethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 2870518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).