(3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

C22H25N5O2 — CID 135418497

IUPAC(3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESCOc1ccccc1N1CCN(C[C@H]2CNc3c4ccccc4nc(=O)n32)CC1
InChIInChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16,23H,10-15H2,1H3/t16-/m1/s1
InChIKeyCOCJIISORPXDPN-MRXNPFEDSA-N
MW391.48 g/mol
LogP2.19
Rot. Bonds4

About (3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

(3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 135418497) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name(3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID135418497
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name(3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESCOc1ccccc1N1CCN(C[C@H]2CNc3c4ccccc4nc(=O)n32)CC1
InChIInChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16,23H,10-15H2,1H3/t16-/m1/s1
InChIKeyCOCJIISORPXDPN-MRXNPFEDSA-N
XLogP2.19
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Urapidil
CID 5639
5-Methylurapidil
CID 5640
Urapidil hydrochloride
CID 167980
1-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369416
Benzimidazolone scaffold, 15f
CID 23369421
1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369450
3-((4-(2-Methoxyphenyl)piperazin-1-yl)methyl)-2,3-dihydroimidazo(1,2-c)quinazolin-5(6H)-one
CID 132891
2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-dihydro-3H-imidazo[1,2-c]quinazolin-5-one
CID 135559170
Benzimidazolone scaffold, 15h
CID 42618264
Benzimidazolone scaffold, 15j
CID 42618266
3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 136268777
n-(2-Methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 235424

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of (3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 135418497) is (3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for (3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for (3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is COc1ccccc1N1CCN(C[C@H]2CNc3c4ccccc4nc(=O)n32)CC1.
What is the InChIKey of (3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is COCJIISORPXDPN-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16,23H,10-15H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
(3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 391.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 135418497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).